0s autopkgtest [19:11:34]: starting date and time: 2024-11-13 19:11:34+0000 0s autopkgtest [19:11:34]: git checkout: 0acbae0a WIP show VirtSubproc stderr in real-time 0s autopkgtest [19:11:34]: host juju-7f2275-prod-proposed-migration-environment-2; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.eciw_7xz/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:python3-defaults,src:python3-stdlib-extensions --apt-upgrade parmed --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=python3-defaults/3.12.7-1 python3-stdlib-extensions/3.12.7-1' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-ppc64el --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-2@bos03-ppc64el-27.secgroup --name adt-plucky-ppc64el-parmed-20241113-191133-juju-7f2275-prod-proposed-migration-environment-2-4fb2b005-d641-45de-a6e9-2dad910f1808 --image adt/ubuntu-plucky-ppc64el-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-2 --net-id=net_prod-proposed-migration-ppc64el -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,keyserver.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 101s autopkgtest [19:13:15]: testbed dpkg architecture: ppc64el 101s autopkgtest [19:13:15]: testbed apt version: 2.9.8 101s autopkgtest [19:13:15]: @@@@@@@@@@@@@@@@@@@@ test bed setup 102s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 102s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [7016 B] 102s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [17.2 kB] 102s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [958 kB] 103s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [98.3 kB] 103s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el Packages [108 kB] 103s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el Packages [673 kB] 103s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse ppc64el Packages [20.8 kB] 103s Fetched 1956 kB in 1s (1944 kB/s) 103s Reading package lists... 106s Reading package lists... 106s Building dependency tree... 106s Reading state information... 107s Calculating upgrade... 107s The following NEW packages will be installed: 107s python3.13-gdbm 107s The following packages will be upgraded: 107s bpfcc-tools bpftrace libbpfcc libgnutls30t64 libjson-glib-1.0-0 107s libjson-glib-1.0-common libnewt0.52 libpython3-stdlib libutempter0 python3 107s python3-bpfcc python3-gdbm python3-minimal python3-newt whiptail 107s 15 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 107s Need to get 4700 kB of archives. 107s After this operation, 215 kB of additional disk space will be used. 107s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el python3-minimal ppc64el 3.12.7-1 [27.4 kB] 107s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el python3 ppc64el 3.12.7-1 [24.0 kB] 107s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el libpython3-stdlib ppc64el 3.12.7-1 [10.0 kB] 107s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgnutls30t64 ppc64el 3.8.8-2ubuntu1 [1072 kB] 108s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-newt ppc64el 0.52.24-2ubuntu4 [21.8 kB] 108s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el libnewt0.52 ppc64el 0.52.24-2ubuntu4 [62.1 kB] 108s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el whiptail ppc64el 0.52.24-2ubuntu4 [19.5 kB] 108s Get:8 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3.13-gdbm ppc64el 3.13.0-2 [31.5 kB] 108s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el python3-gdbm ppc64el 3.12.7-1 [8640 B] 108s Get:10 http://ftpmaster.internal/ubuntu plucky/main ppc64el libbpfcc ppc64el 0.30.0+ds-1ubuntu5 [696 kB] 108s Get:11 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-bpfcc all 0.30.0+ds-1ubuntu5 [40.4 kB] 108s Get:12 http://ftpmaster.internal/ubuntu plucky/main ppc64el bpfcc-tools all 0.30.0+ds-1ubuntu5 [697 kB] 108s Get:13 http://ftpmaster.internal/ubuntu plucky/main ppc64el bpftrace ppc64el 0.21.2-2ubuntu2 [1898 kB] 108s Get:14 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjson-glib-1.0-common all 1.10.0+ds-3 [5586 B] 108s Get:15 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjson-glib-1.0-0 ppc64el 1.10.0+ds-3 [76.0 kB] 108s Get:16 http://ftpmaster.internal/ubuntu plucky/main ppc64el libutempter0 ppc64el 1.2.1-4 [9850 B] 108s Fetched 4700 kB in 1s (5803 kB/s) 109s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 73767 files and directories currently installed.) 109s Preparing to unpack .../python3-minimal_3.12.7-1_ppc64el.deb ... 109s Unpacking python3-minimal (3.12.7-1) over (3.12.6-0ubuntu1) ... 109s Setting up python3-minimal (3.12.7-1) ... 109s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 73767 files and directories currently installed.) 109s Preparing to unpack .../python3_3.12.7-1_ppc64el.deb ... 109s Unpacking python3 (3.12.7-1) over (3.12.6-0ubuntu1) ... 109s Preparing to unpack .../libpython3-stdlib_3.12.7-1_ppc64el.deb ... 109s Unpacking libpython3-stdlib:ppc64el (3.12.7-1) over (3.12.6-0ubuntu1) ... 109s Preparing to unpack .../libgnutls30t64_3.8.8-2ubuntu1_ppc64el.deb ... 109s Unpacking libgnutls30t64:ppc64el (3.8.8-2ubuntu1) over (3.8.6-2ubuntu1) ... 109s Setting up libgnutls30t64:ppc64el (3.8.8-2ubuntu1) ... 109s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 73767 files and directories currently installed.) 109s Preparing to unpack .../00-python3-newt_0.52.24-2ubuntu4_ppc64el.deb ... 109s Unpacking python3-newt:ppc64el (0.52.24-2ubuntu4) over (0.52.24-2ubuntu3) ... 109s Preparing to unpack .../01-libnewt0.52_0.52.24-2ubuntu4_ppc64el.deb ... 109s Unpacking libnewt0.52:ppc64el (0.52.24-2ubuntu4) over (0.52.24-2ubuntu3) ... 109s Preparing to unpack .../02-whiptail_0.52.24-2ubuntu4_ppc64el.deb ... 109s Unpacking whiptail (0.52.24-2ubuntu4) over (0.52.24-2ubuntu3) ... 109s Selecting previously unselected package python3.13-gdbm. 109s Preparing to unpack .../03-python3.13-gdbm_3.13.0-2_ppc64el.deb ... 109s Unpacking python3.13-gdbm (3.13.0-2) ... 109s Preparing to unpack .../04-python3-gdbm_3.12.7-1_ppc64el.deb ... 109s Unpacking python3-gdbm:ppc64el (3.12.7-1) over (3.12.6-1ubuntu1) ... 109s Preparing to unpack .../05-libbpfcc_0.30.0+ds-1ubuntu5_ppc64el.deb ... 109s Unpacking libbpfcc:ppc64el (0.30.0+ds-1ubuntu5) over (0.30.0+ds-1ubuntu4) ... 109s Preparing to unpack .../06-python3-bpfcc_0.30.0+ds-1ubuntu5_all.deb ... 109s Unpacking python3-bpfcc (0.30.0+ds-1ubuntu5) over (0.30.0+ds-1ubuntu4) ... 109s Preparing to unpack .../07-bpfcc-tools_0.30.0+ds-1ubuntu5_all.deb ... 109s Unpacking bpfcc-tools (0.30.0+ds-1ubuntu5) over (0.30.0+ds-1ubuntu4) ... 110s Preparing to unpack .../08-bpftrace_0.21.2-2ubuntu2_ppc64el.deb ... 110s Unpacking bpftrace (0.21.2-2ubuntu2) over (0.21.2-2) ... 110s Preparing to unpack .../09-libjson-glib-1.0-common_1.10.0+ds-3_all.deb ... 110s Unpacking libjson-glib-1.0-common (1.10.0+ds-3) over (1.10.0+ds-2) ... 110s Preparing to unpack .../10-libjson-glib-1.0-0_1.10.0+ds-3_ppc64el.deb ... 110s Unpacking libjson-glib-1.0-0:ppc64el (1.10.0+ds-3) over (1.10.0+ds-2) ... 110s Preparing to unpack .../11-libutempter0_1.2.1-4_ppc64el.deb ... 110s Unpacking libutempter0:ppc64el (1.2.1-4) over (1.2.1-3build1) ... 110s Setting up libnewt0.52:ppc64el (0.52.24-2ubuntu4) ... 110s Setting up libutempter0:ppc64el (1.2.1-4) ... 110s Setting up whiptail (0.52.24-2ubuntu4) ... 110s Setting up libjson-glib-1.0-common (1.10.0+ds-3) ... 110s Setting up libbpfcc:ppc64el (0.30.0+ds-1ubuntu5) ... 110s Setting up python3.13-gdbm (3.13.0-2) ... 110s Setting up libpython3-stdlib:ppc64el (3.12.7-1) ... 110s Setting up bpftrace (0.21.2-2ubuntu2) ... 110s Setting up python3 (3.12.7-1) ... 110s Setting up python3-newt:ppc64el (0.52.24-2ubuntu4) ... 111s Setting up libjson-glib-1.0-0:ppc64el (1.10.0+ds-3) ... 111s Setting up python3-bpfcc (0.30.0+ds-1ubuntu5) ... 111s Setting up python3-gdbm:ppc64el (3.12.7-1) ... 111s Setting up bpfcc-tools (0.30.0+ds-1ubuntu5) ... 111s Processing triggers for man-db (2.12.1-3) ... 112s Processing triggers for libc-bin (2.40-1ubuntu3) ... 113s Reading package lists... 113s Building dependency tree... 113s Reading state information... 113s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 114s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 114s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 114s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 114s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 115s Reading package lists... 115s Reading package lists... 116s Building dependency tree... 116s Reading state information... 116s Calculating upgrade... 116s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 116s Reading package lists... 117s Building dependency tree... 117s Reading state information... 117s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 120s autopkgtest [19:13:34]: testbed running kernel: Linux 6.11.0-8-generic #8-Ubuntu SMP Mon Sep 16 13:49:23 UTC 2024 120s autopkgtest [19:13:34]: @@@@@@@@@@@@@@@@@@@@ apt-source parmed 124s Get:1 http://ftpmaster.internal/ubuntu plucky/universe parmed 4.2.2+dfsg-3build1 (dsc) [2331 B] 124s Get:2 http://ftpmaster.internal/ubuntu plucky/universe parmed 4.2.2+dfsg-3build1 (tar) [48.4 MB] 124s Get:3 http://ftpmaster.internal/ubuntu plucky/universe parmed 4.2.2+dfsg-3build1 (diff) [7460 B] 124s gpgv: Signature made Sat Jan 20 09:00:46 2024 UTC 124s gpgv: using RSA key 25E3FF2D7F469DBE7D0D4E50AFCFEC8E669CE1C2 124s gpgv: Can't check signature: No public key 124s dpkg-source: warning: cannot verify inline signature for ./parmed_4.2.2+dfsg-3build1.dsc: no acceptable signature found 128s autopkgtest [19:13:42]: testing package parmed version 4.2.2+dfsg-3build1 128s autopkgtest [19:13:42]: build not needed 139s autopkgtest [19:13:53]: test pybuild-autopkgtest: preparing testbed 141s Reading package lists... 141s Building dependency tree... 141s Reading state information... 141s Starting pkgProblemResolver with broken count: 0 141s Starting 2 pkgProblemResolver with broken count: 0 141s Done 142s The following additional packages will be installed: 142s autoconf automake autopoint autotools-dev build-essential cpp cpp-14 142s cpp-14-powerpc64le-linux-gnu cpp-powerpc64le-linux-gnu debhelper debugedit 142s dh-autoreconf dh-python dh-strip-nondeterminism dwz fontconfig-config 142s fonts-freefont-ttf fonts-mathjax g++ g++-14 g++-14-powerpc64le-linux-gnu 142s g++-powerpc64le-linux-gnu gcc gcc-14 gcc-14-powerpc64le-linux-gnu 142s gcc-powerpc64le-linux-gnu gettext gromacs gromacs-data intltool-debian 142s libamd-comgr2 libamdhip64-5 libarchive-zip-perl libasan8 libblas3 142s libboost-iostreams1.83.0 libboost-python1.83.0 libboost-serialization1.83.0 142s libcairo2 libcc1-0 libcoordgen3 libdebhelper-perl libdrm-amdgpu1 142s libevent-pthreads-2.1-7t64 libexpat1-dev libfabric1 libfftw3-double3 142s libfftw3-single3 libfile-stripnondeterminism-perl libfontconfig1 142s libgcc-14-dev libgfortran5 libgomp1 libgromacs9 libhsa-runtime64-1 142s libhsakmt1 libhwloc-plugins libhwloc15 libibmad5 libibumad3 libio-pty-perl 142s libipc-run-perl libisl23 libitm1 libjs-jquery libjs-mathjax libjs-sphinxdoc 142s libjs-underscore liblapack3 libllvm17t64 liblsan0 libmaeparser1 libmpc3 142s libmunge2 libmuparser2v5 libopenmm-dev libopenmm-plugins libopenmm8.1 142s libopenmpi3t64 libpciaccess0 libpixman-1-0 libpmix2t64 libpython3-dev 142s libpython3.12-dev libquadmath0 librdkit1t64 librdmacm1t64 libstdc++-14-dev 142s libtime-duration-perl libtimedate-perl libtool libtsan2 libubsan1 libucx0 142s libxcb-render0 libxcb-shm0 libxnvctrl0 libxrender1 libxslt1.1 m4 moreutils 142s ocl-icd-libopencl1 po-debconf pybuild-plugin-autopkgtest python3-dateutil 142s python3-dev python3-iniconfig python3-lxml python3-networkx python3-numpy 142s python3-openmm python3-packaging python3-pandas python3-pandas-lib 142s python3-parmed python3-pluggy python3-pytest python3-rdkit python3-six 142s python3-tz python3.12-dev rdkit-data zlib1g-dev 142s Suggested packages: 142s autoconf-archive gnu-standards autoconf-doc cpp-doc gcc-14-locales 142s cpp-14-doc dh-make flit python3-build python3-installer python3-wheel 142s gcc-14-doc gcc-multilib manpages-dev flex bison gdb gcc-doc 142s gdb-powerpc64le-linux-gnu gettext-doc libasprintf-dev libgettextpo-dev pymol 142s libfftw3-bin libfftw3-dev fonts-mathjax-extras fonts-stix libjs-mathjax-doc 142s libstdc++-14-doc libtool-doc gfortran | fortran95-compiler gcj-jdk m4-doc 142s opencl-icd libmail-box-perl python-lxml-doc python3-gdal python3-matplotlib 142s python3-pydot python3-pygraphviz python3-scipy gfortran python-numpy-doc 142s python-pandas-doc python3-statsmodels rdkit-doc 142s Recommended packages: 142s mpi-default-bin libarchive-cpio-perl javascript-common libltdl-dev 142s libmail-sendmail-perl python3-bs4 python3-cssselect python3-html5lib 142s python3-scipy python3-matplotlib python3-bottleneck python3-numexpr 142s python3-odf python3-openpyxl python3-tables 142s The following NEW packages will be installed: 142s autoconf automake autopkgtest-satdep autopoint autotools-dev build-essential 142s cpp cpp-14 cpp-14-powerpc64le-linux-gnu cpp-powerpc64le-linux-gnu debhelper 142s debugedit dh-autoreconf dh-python dh-strip-nondeterminism dwz 142s fontconfig-config fonts-freefont-ttf fonts-mathjax g++ g++-14 142s g++-14-powerpc64le-linux-gnu g++-powerpc64le-linux-gnu gcc gcc-14 142s gcc-14-powerpc64le-linux-gnu gcc-powerpc64le-linux-gnu gettext gromacs 142s gromacs-data intltool-debian libamd-comgr2 libamdhip64-5 libarchive-zip-perl 142s libasan8 libblas3 libboost-iostreams1.83.0 libboost-python1.83.0 142s libboost-serialization1.83.0 libcairo2 libcc1-0 libcoordgen3 142s libdebhelper-perl libdrm-amdgpu1 libevent-pthreads-2.1-7t64 libexpat1-dev 142s libfabric1 libfftw3-double3 libfftw3-single3 142s libfile-stripnondeterminism-perl libfontconfig1 libgcc-14-dev libgfortran5 142s libgomp1 libgromacs9 libhsa-runtime64-1 libhsakmt1 libhwloc-plugins 142s libhwloc15 libibmad5 libibumad3 libio-pty-perl libipc-run-perl libisl23 142s libitm1 libjs-jquery libjs-mathjax libjs-sphinxdoc libjs-underscore 142s liblapack3 libllvm17t64 liblsan0 libmaeparser1 libmpc3 libmunge2 142s libmuparser2v5 libopenmm-dev libopenmm-plugins libopenmm8.1 libopenmpi3t64 142s libpciaccess0 libpixman-1-0 libpmix2t64 libpython3-dev libpython3.12-dev 142s libquadmath0 librdkit1t64 librdmacm1t64 libstdc++-14-dev 142s libtime-duration-perl libtimedate-perl libtool libtsan2 libubsan1 libucx0 142s libxcb-render0 libxcb-shm0 libxnvctrl0 libxrender1 libxslt1.1 m4 moreutils 142s ocl-icd-libopencl1 po-debconf pybuild-plugin-autopkgtest python3-dateutil 142s python3-dev python3-iniconfig python3-lxml python3-networkx python3-numpy 142s python3-openmm python3-packaging python3-pandas python3-pandas-lib 142s python3-parmed python3-pluggy python3-pytest python3-rdkit python3-six 142s python3-tz python3.12-dev rdkit-data zlib1g-dev 142s 0 upgraded, 124 newly installed, 0 to remove and 0 not upgraded. 142s Need to get 300 MB/300 MB of archives. 142s After this operation, 1405 MB of additional disk space will be used. 142s Get:1 /tmp/autopkgtest.SJqCMt/1-autopkgtest-satdep.deb autopkgtest-satdep ppc64el 0 [844 B] 142s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el m4 ppc64el 1.4.19-4build1 [278 kB] 143s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el autoconf all 2.72-3 [382 kB] 143s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el autotools-dev all 20220109.1 [44.9 kB] 143s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el automake all 1:1.16.5-1.3ubuntu1 [558 kB] 143s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el autopoint all 0.22.5-2 [616 kB] 143s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el libisl23 ppc64el 0.27-1 [882 kB] 143s Get:8 http://ftpmaster.internal/ubuntu plucky/main ppc64el libmpc3 ppc64el 1.3.1-1build2 [62.1 kB] 143s Get:9 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [10.5 MB] 143s Get:10 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14 ppc64el 14.2.0-8ubuntu1 [1034 B] 143s Get:11 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [5456 B] 143s Get:12 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp ppc64el 4:14.1.0-2ubuntu1 [22.5 kB] 143s Get:13 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcc1-0 ppc64el 14.2.0-8ubuntu1 [48.1 kB] 143s Get:14 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgomp1 ppc64el 14.2.0-8ubuntu1 [161 kB] 143s Get:15 http://ftpmaster.internal/ubuntu plucky/main ppc64el libitm1 ppc64el 14.2.0-8ubuntu1 [31.9 kB] 143s Get:16 http://ftpmaster.internal/ubuntu plucky/main ppc64el libasan8 ppc64el 14.2.0-8ubuntu1 [2945 kB] 143s Get:17 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblsan0 ppc64el 14.2.0-8ubuntu1 [1322 kB] 143s Get:18 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtsan2 ppc64el 14.2.0-8ubuntu1 [2695 kB] 143s Get:19 http://ftpmaster.internal/ubuntu plucky/main ppc64el libubsan1 ppc64el 14.2.0-8ubuntu1 [1191 kB] 143s Get:20 http://ftpmaster.internal/ubuntu plucky/main ppc64el libquadmath0 ppc64el 14.2.0-8ubuntu1 [158 kB] 143s Get:21 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgcc-14-dev ppc64el 14.2.0-8ubuntu1 [1619 kB] 143s Get:22 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [20.6 MB] 144s Get:23 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14 ppc64el 14.2.0-8ubuntu1 [528 kB] 144s Get:24 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [1222 B] 144s Get:25 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc ppc64el 4:14.1.0-2ubuntu1 [5006 B] 144s Get:26 http://ftpmaster.internal/ubuntu plucky/main ppc64el libstdc++-14-dev ppc64el 14.2.0-8ubuntu1 [2673 kB] 144s Get:27 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [12.0 MB] 144s Get:28 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14 ppc64el 14.2.0-8ubuntu1 [19.9 kB] 144s Get:29 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [968 B] 144s Get:30 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++ ppc64el 4:14.1.0-2ubuntu1 [1090 B] 144s Get:31 http://ftpmaster.internal/ubuntu plucky/main ppc64el build-essential ppc64el 12.10ubuntu1 [4936 B] 144s Get:32 http://ftpmaster.internal/ubuntu plucky/main ppc64el libdebhelper-perl all 13.20ubuntu1 [94.2 kB] 144s Get:33 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtool all 2.4.7-7build1 [166 kB] 144s Get:34 http://ftpmaster.internal/ubuntu plucky/main ppc64el dh-autoreconf all 20 [16.1 kB] 144s Get:35 http://ftpmaster.internal/ubuntu plucky/main ppc64el libarchive-zip-perl all 1.68-1 [90.2 kB] 144s Get:36 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfile-stripnondeterminism-perl all 1.14.0-1 [20.1 kB] 144s Get:37 http://ftpmaster.internal/ubuntu plucky/main ppc64el dh-strip-nondeterminism all 1.14.0-1 [5058 B] 144s Get:38 http://ftpmaster.internal/ubuntu plucky/main ppc64el debugedit ppc64el 1:5.1-1 [52.1 kB] 144s Get:39 http://ftpmaster.internal/ubuntu plucky/main ppc64el dwz ppc64el 0.15-1build6 [142 kB] 144s Get:40 http://ftpmaster.internal/ubuntu plucky/main ppc64el gettext ppc64el 0.22.5-2 [1082 kB] 144s Get:41 http://ftpmaster.internal/ubuntu plucky/main ppc64el intltool-debian all 0.35.0+20060710.6 [23.2 kB] 144s Get:42 http://ftpmaster.internal/ubuntu plucky/main ppc64el po-debconf all 1.0.21+nmu1 [233 kB] 144s Get:43 http://ftpmaster.internal/ubuntu plucky/main ppc64el debhelper all 13.20ubuntu1 [893 kB] 144s Get:44 http://ftpmaster.internal/ubuntu plucky/universe ppc64el dh-python all 6.20241024 [112 kB] 144s Get:45 http://ftpmaster.internal/ubuntu plucky/main ppc64el fonts-freefont-ttf all 20211204+svn4273-2 [5641 kB] 145s Get:46 http://ftpmaster.internal/ubuntu plucky/main ppc64el fontconfig-config ppc64el 2.15.0-1.1ubuntu2 [37.4 kB] 145s Get:47 http://ftpmaster.internal/ubuntu plucky/main ppc64el fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 145s Get:48 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libllvm17t64 ppc64el 1:17.0.6-18 [27.0 MB] 145s Get:49 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamd-comgr2 ppc64el 6.0+git20231212.4510c28+dfsg-3build2 [15.3 MB] 146s Get:50 http://ftpmaster.internal/ubuntu plucky/main ppc64el libdrm-amdgpu1 ppc64el 2.4.123-1 [24.8 kB] 146s Get:51 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsakmt1 ppc64el 5.7.0-1build1 [76.4 kB] 146s Get:52 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsa-runtime64-1 ppc64el 5.7.1-2build1 [330 kB] 146s Get:53 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamdhip64-5 ppc64el 5.7.1-5 [9354 kB] 146s Get:54 http://ftpmaster.internal/ubuntu plucky/main ppc64el libblas3 ppc64el 3.12.0-3build2 [222 kB] 146s Get:55 http://ftpmaster.internal/ubuntu plucky/main ppc64el libboost-iostreams1.83.0 ppc64el 1.83.0-3.2ubuntu2 [260 kB] 146s Get:56 http://ftpmaster.internal/ubuntu plucky/main ppc64el libboost-python1.83.0 ppc64el 1.83.0-3.2ubuntu2 [316 kB] 146s Get:57 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libboost-serialization1.83.0 ppc64el 1.83.0-3.2ubuntu2 [348 kB] 146s Get:58 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfontconfig1 ppc64el 2.15.0-1.1ubuntu2 [190 kB] 146s Get:59 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpixman-1-0 ppc64el 0.44.0-3 [334 kB] 146s Get:60 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxcb-render0 ppc64el 1.17.0-2 [17.2 kB] 146s Get:61 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxcb-shm0 ppc64el 1.17.0-2 [5980 B] 146s Get:62 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxrender1 ppc64el 1:0.9.10-1.1build1 [23.1 kB] 146s Get:63 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcairo2 ppc64el 1.18.2-2 [747 kB] 146s Get:64 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libcoordgen3 ppc64el 3.0.2-1 [263 kB] 146s Get:65 http://ftpmaster.internal/ubuntu plucky/main ppc64el libevent-pthreads-2.1-7t64 ppc64el 2.1.12-stable-10 [8026 B] 146s Get:66 http://ftpmaster.internal/ubuntu plucky/main ppc64el libexpat1-dev ppc64el 2.6.2-2 [149 kB] 146s Get:67 http://ftpmaster.internal/ubuntu plucky/main ppc64el librdmacm1t64 ppc64el 52.0-2ubuntu1 [80.6 kB] 146s Get:68 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libfabric1 ppc64el 1.17.0-3ubuntu1 [692 kB] 146s Get:69 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-double3 ppc64el 3.3.10-1ubuntu4 [443 kB] 146s Get:70 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-single3 ppc64el 3.3.10-1ubuntu4 [450 kB] 146s Get:71 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgfortran5 ppc64el 14.2.0-8ubuntu1 [571 kB] 146s Get:72 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc15 ppc64el 2.11.2-1 [220 kB] 146s Get:73 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblapack3 ppc64el 3.12.0-3build2 [2806 kB] 146s Get:74 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmuparser2v5 ppc64el 2.3.4-1 [138 kB] 146s Get:75 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmunge2 ppc64el 0.5.15-4build1 [17.7 kB] 146s Get:76 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpciaccess0 ppc64el 0.17-3build1 [21.4 kB] 146s Get:77 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxnvctrl0 ppc64el 510.47.03-0ubuntu4 [12.6 kB] 146s Get:78 http://ftpmaster.internal/ubuntu plucky/universe ppc64el ocl-icd-libopencl1 ppc64el 2.3.2-1build1 [42.9 kB] 146s Get:79 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc-plugins ppc64el 2.11.2-1 [17.5 kB] 146s Get:80 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libpmix2t64 ppc64el 5.0.3-2 [768 kB] 146s Get:81 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibumad3 ppc64el 52.0-2ubuntu1 [31.1 kB] 146s Get:82 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibmad5 ppc64el 52.0-2ubuntu1 [45.5 kB] 146s Get:83 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libucx0 ppc64el 1.17.0+ds-3build1 [1224 kB] 146s Get:84 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libopenmpi3t64 ppc64el 4.1.6-13.3ubuntu2 [2696 kB] 147s Get:85 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs9 ppc64el 2024.2-1 [31.7 MB] 148s Get:86 http://ftpmaster.internal/ubuntu plucky/main ppc64el libio-pty-perl ppc64el 1:1.20-1build3 [32.0 kB] 148s Get:87 http://ftpmaster.internal/ubuntu plucky/main ppc64el libipc-run-perl all 20231003.0-2 [91.5 kB] 148s Get:88 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [328 kB] 148s Get:89 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [118 kB] 148s Get:90 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-sphinxdoc all 7.4.7-4 [158 kB] 148s Get:91 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmaeparser1 ppc64el 1.3.1-1build1 [96.1 kB] 148s Get:92 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libopenmm8.1 ppc64el 8.1.2+dfsg-1 [922 kB] 148s Get:93 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libopenmm-dev ppc64el 8.1.2+dfsg-1 [352 kB] 149s Get:94 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libopenmm-plugins ppc64el 8.1.2+dfsg-1 [1716 kB] 149s Get:95 http://ftpmaster.internal/ubuntu plucky/main ppc64el zlib1g-dev ppc64el 1:1.3.dfsg+really1.3.1-1ubuntu1 [902 kB] 149s Get:96 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpython3.12-dev ppc64el 3.12.7-3 [6136 kB] 149s Get:97 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el libpython3-dev ppc64el 3.12.7-1 [10.3 kB] 149s Get:98 http://ftpmaster.internal/ubuntu plucky/universe ppc64el librdkit1t64 ppc64el 202309.3-4 [5629 kB] 150s Get:99 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtime-duration-perl all 1.21-2 [12.3 kB] 150s Get:100 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtimedate-perl all 2.3300-2 [34.0 kB] 150s Get:101 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxslt1.1 ppc64el 1.1.39-0exp1ubuntu1 [191 kB] 150s Get:102 http://ftpmaster.internal/ubuntu plucky/universe ppc64el moreutils ppc64el 0.69-1 [59.1 kB] 150s Get:103 http://ftpmaster.internal/ubuntu plucky/universe ppc64el pybuild-plugin-autopkgtest all 6.20241024 [1746 B] 150s Get:104 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-six all 1.16.0-7 [13.1 kB] 150s Get:105 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-dateutil all 2.9.0-2 [80.3 kB] 150s Get:106 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3.12-dev ppc64el 3.12.7-3 [505 kB] 150s Get:107 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el python3-dev ppc64el 3.12.7-1 [26.7 kB] 150s Get:108 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-iniconfig all 1.1.1-2 [6024 B] 150s Get:109 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-lxml ppc64el 5.3.0-1 [1354 kB] 150s Get:110 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-networkx all 3.2.1-4ubuntu1 [11.5 MB] 151s Get:111 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-numpy ppc64el 1:1.26.4+ds-11build1 [4434 kB] 151s Get:112 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-openmm ppc64el 8.1.2+dfsg-1 [7509 kB] 152s Get:113 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-packaging all 24.1-1 [41.4 kB] 152s Get:114 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-tz all 2024.1-2 [31.4 kB] 152s Get:115 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-pandas-lib ppc64el 2.2.3+dfsg-5 [4761 kB] 152s Get:116 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-pandas all 2.2.3+dfsg-5 [3112 kB] 152s Get:117 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-parmed ppc64el 4.2.2+dfsg-3build1 [18.5 MB] 153s Get:118 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-pluggy all 1.5.0-1 [21.0 kB] 153s Get:119 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-pytest all 8.3.3-1 [251 kB] 153s Get:120 http://ftpmaster.internal/ubuntu plucky/universe ppc64el rdkit-data all 202309.3-4 [12.6 MB] 154s Get:121 http://ftpmaster.internal/ubuntu plucky/universe ppc64el python3-rdkit ppc64el 202309.3-4 [4835 kB] 154s Get:122 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 154s Get:123 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs-data all 2024.2-1 [41.0 MB] 157s Get:124 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs ppc64el 2024.2-1 [59.8 kB] 157s Fetched 300 MB in 15s (20.2 MB/s) 157s Selecting previously unselected package m4. 157s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 73775 files and directories currently installed.) 157s Preparing to unpack .../000-m4_1.4.19-4build1_ppc64el.deb ... 157s Unpacking m4 (1.4.19-4build1) ... 157s Selecting previously unselected package autoconf. 157s Preparing to unpack .../001-autoconf_2.72-3_all.deb ... 157s Unpacking autoconf (2.72-3) ... 158s Selecting previously unselected package autotools-dev. 158s Preparing to unpack .../002-autotools-dev_20220109.1_all.deb ... 158s Unpacking autotools-dev (20220109.1) ... 158s Selecting previously unselected package automake. 158s Preparing to unpack .../003-automake_1%3a1.16.5-1.3ubuntu1_all.deb ... 158s Unpacking automake (1:1.16.5-1.3ubuntu1) ... 158s Selecting previously unselected package autopoint. 158s Preparing to unpack .../004-autopoint_0.22.5-2_all.deb ... 158s Unpacking autopoint (0.22.5-2) ... 158s Selecting previously unselected package libisl23:ppc64el. 158s Preparing to unpack .../005-libisl23_0.27-1_ppc64el.deb ... 158s Unpacking libisl23:ppc64el (0.27-1) ... 158s Selecting previously unselected package libmpc3:ppc64el. 158s Preparing to unpack .../006-libmpc3_1.3.1-1build2_ppc64el.deb ... 158s Unpacking libmpc3:ppc64el (1.3.1-1build2) ... 158s Selecting previously unselected package cpp-14-powerpc64le-linux-gnu. 158s Preparing to unpack .../007-cpp-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking cpp-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package cpp-14. 158s Preparing to unpack .../008-cpp-14_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking cpp-14 (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package cpp-powerpc64le-linux-gnu. 158s Preparing to unpack .../009-cpp-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 158s Unpacking cpp-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 158s Selecting previously unselected package cpp. 158s Preparing to unpack .../010-cpp_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 158s Unpacking cpp (4:14.1.0-2ubuntu1) ... 158s Selecting previously unselected package libcc1-0:ppc64el. 158s Preparing to unpack .../011-libcc1-0_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking libcc1-0:ppc64el (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package libgomp1:ppc64el. 158s Preparing to unpack .../012-libgomp1_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking libgomp1:ppc64el (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package libitm1:ppc64el. 158s Preparing to unpack .../013-libitm1_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking libitm1:ppc64el (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package libasan8:ppc64el. 158s Preparing to unpack .../014-libasan8_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking libasan8:ppc64el (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package liblsan0:ppc64el. 158s Preparing to unpack .../015-liblsan0_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking liblsan0:ppc64el (14.2.0-8ubuntu1) ... 158s Selecting previously unselected package libtsan2:ppc64el. 158s Preparing to unpack .../016-libtsan2_14.2.0-8ubuntu1_ppc64el.deb ... 158s Unpacking libtsan2:ppc64el (14.2.0-8ubuntu1) ... 159s Selecting previously unselected package libubsan1:ppc64el. 159s Preparing to unpack .../017-libubsan1_14.2.0-8ubuntu1_ppc64el.deb ... 159s Unpacking libubsan1:ppc64el (14.2.0-8ubuntu1) ... 159s Selecting previously unselected package libquadmath0:ppc64el. 159s Preparing to unpack .../018-libquadmath0_14.2.0-8ubuntu1_ppc64el.deb ... 159s Unpacking libquadmath0:ppc64el (14.2.0-8ubuntu1) ... 159s Selecting previously unselected package libgcc-14-dev:ppc64el. 159s Preparing to unpack .../019-libgcc-14-dev_14.2.0-8ubuntu1_ppc64el.deb ... 159s Unpacking libgcc-14-dev:ppc64el (14.2.0-8ubuntu1) ... 159s Selecting previously unselected package gcc-14-powerpc64le-linux-gnu. 159s Preparing to unpack .../020-gcc-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 159s Unpacking gcc-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 159s Selecting previously unselected package gcc-14. 159s Preparing to unpack .../021-gcc-14_14.2.0-8ubuntu1_ppc64el.deb ... 159s Unpacking gcc-14 (14.2.0-8ubuntu1) ... 159s Selecting previously unselected package gcc-powerpc64le-linux-gnu. 159s Preparing to unpack .../022-gcc-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 159s Unpacking gcc-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 159s Selecting previously unselected package gcc. 159s Preparing to unpack .../023-gcc_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 159s Unpacking gcc (4:14.1.0-2ubuntu1) ... 159s Selecting previously unselected package libstdc++-14-dev:ppc64el. 159s Preparing to unpack .../024-libstdc++-14-dev_14.2.0-8ubuntu1_ppc64el.deb ... 159s Unpacking libstdc++-14-dev:ppc64el (14.2.0-8ubuntu1) ... 160s Selecting previously unselected package g++-14-powerpc64le-linux-gnu. 160s Preparing to unpack .../025-g++-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 160s Unpacking g++-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 160s Selecting previously unselected package g++-14. 160s Preparing to unpack .../026-g++-14_14.2.0-8ubuntu1_ppc64el.deb ... 160s Unpacking g++-14 (14.2.0-8ubuntu1) ... 160s Selecting previously unselected package g++-powerpc64le-linux-gnu. 160s Preparing to unpack .../027-g++-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 160s Unpacking g++-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 160s Selecting previously unselected package g++. 160s Preparing to unpack .../028-g++_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 160s Unpacking g++ (4:14.1.0-2ubuntu1) ... 160s Selecting previously unselected package build-essential. 160s Preparing to unpack .../029-build-essential_12.10ubuntu1_ppc64el.deb ... 160s Unpacking build-essential (12.10ubuntu1) ... 160s Selecting previously unselected package libdebhelper-perl. 160s Preparing to unpack .../030-libdebhelper-perl_13.20ubuntu1_all.deb ... 160s Unpacking libdebhelper-perl (13.20ubuntu1) ... 160s Selecting previously unselected package libtool. 160s Preparing to unpack .../031-libtool_2.4.7-7build1_all.deb ... 160s Unpacking libtool (2.4.7-7build1) ... 160s Selecting previously unselected package dh-autoreconf. 160s Preparing to unpack .../032-dh-autoreconf_20_all.deb ... 160s Unpacking dh-autoreconf (20) ... 160s Selecting previously unselected package libarchive-zip-perl. 160s Preparing to unpack .../033-libarchive-zip-perl_1.68-1_all.deb ... 160s Unpacking libarchive-zip-perl (1.68-1) ... 160s Selecting previously unselected package libfile-stripnondeterminism-perl. 160s Preparing to unpack .../034-libfile-stripnondeterminism-perl_1.14.0-1_all.deb ... 160s Unpacking libfile-stripnondeterminism-perl (1.14.0-1) ... 160s Selecting previously unselected package dh-strip-nondeterminism. 160s Preparing to unpack .../035-dh-strip-nondeterminism_1.14.0-1_all.deb ... 160s Unpacking dh-strip-nondeterminism (1.14.0-1) ... 160s Selecting previously unselected package debugedit. 160s Preparing to unpack .../036-debugedit_1%3a5.1-1_ppc64el.deb ... 160s Unpacking debugedit (1:5.1-1) ... 160s Selecting previously unselected package dwz. 160s Preparing to unpack .../037-dwz_0.15-1build6_ppc64el.deb ... 160s Unpacking dwz (0.15-1build6) ... 160s Selecting previously unselected package gettext. 160s Preparing to unpack .../038-gettext_0.22.5-2_ppc64el.deb ... 160s Unpacking gettext (0.22.5-2) ... 160s Selecting previously unselected package intltool-debian. 160s Preparing to unpack .../039-intltool-debian_0.35.0+20060710.6_all.deb ... 160s Unpacking intltool-debian (0.35.0+20060710.6) ... 160s Selecting previously unselected package po-debconf. 160s Preparing to unpack .../040-po-debconf_1.0.21+nmu1_all.deb ... 160s Unpacking po-debconf (1.0.21+nmu1) ... 160s Selecting previously unselected package debhelper. 160s Preparing to unpack .../041-debhelper_13.20ubuntu1_all.deb ... 160s Unpacking debhelper (13.20ubuntu1) ... 161s Selecting previously unselected package dh-python. 161s Preparing to unpack .../042-dh-python_6.20241024_all.deb ... 161s Unpacking dh-python (6.20241024) ... 161s Selecting previously unselected package fonts-freefont-ttf. 161s Preparing to unpack .../043-fonts-freefont-ttf_20211204+svn4273-2_all.deb ... 161s Unpacking fonts-freefont-ttf (20211204+svn4273-2) ... 161s Selecting previously unselected package fontconfig-config. 161s Preparing to unpack .../044-fontconfig-config_2.15.0-1.1ubuntu2_ppc64el.deb ... 161s Unpacking fontconfig-config (2.15.0-1.1ubuntu2) ... 161s Selecting previously unselected package fonts-mathjax. 161s Preparing to unpack .../045-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 161s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 161s Selecting previously unselected package libllvm17t64:ppc64el. 161s Preparing to unpack .../046-libllvm17t64_1%3a17.0.6-18_ppc64el.deb ... 161s Unpacking libllvm17t64:ppc64el (1:17.0.6-18) ... 162s Selecting previously unselected package libamd-comgr2:ppc64el. 162s Preparing to unpack .../047-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_ppc64el.deb ... 162s Unpacking libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 163s Selecting previously unselected package libdrm-amdgpu1:ppc64el. 163s Preparing to unpack .../048-libdrm-amdgpu1_2.4.123-1_ppc64el.deb ... 163s Unpacking libdrm-amdgpu1:ppc64el (2.4.123-1) ... 163s Selecting previously unselected package libhsakmt1:ppc64el. 163s Preparing to unpack .../049-libhsakmt1_5.7.0-1build1_ppc64el.deb ... 163s Unpacking libhsakmt1:ppc64el (5.7.0-1build1) ... 163s Selecting previously unselected package libhsa-runtime64-1. 163s Preparing to unpack .../050-libhsa-runtime64-1_5.7.1-2build1_ppc64el.deb ... 163s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 163s Selecting previously unselected package libamdhip64-5. 163s Preparing to unpack .../051-libamdhip64-5_5.7.1-5_ppc64el.deb ... 163s Unpacking libamdhip64-5 (5.7.1-5) ... 163s Selecting previously unselected package libblas3:ppc64el. 163s Preparing to unpack .../052-libblas3_3.12.0-3build2_ppc64el.deb ... 163s Unpacking libblas3:ppc64el (3.12.0-3build2) ... 163s Selecting previously unselected package libboost-iostreams1.83.0:ppc64el. 163s Preparing to unpack .../053-libboost-iostreams1.83.0_1.83.0-3.2ubuntu2_ppc64el.deb ... 163s Unpacking libboost-iostreams1.83.0:ppc64el (1.83.0-3.2ubuntu2) ... 163s Selecting previously unselected package libboost-python1.83.0. 163s Preparing to unpack .../054-libboost-python1.83.0_1.83.0-3.2ubuntu2_ppc64el.deb ... 163s Unpacking libboost-python1.83.0 (1.83.0-3.2ubuntu2) ... 163s Selecting previously unselected package libboost-serialization1.83.0:ppc64el. 163s Preparing to unpack .../055-libboost-serialization1.83.0_1.83.0-3.2ubuntu2_ppc64el.deb ... 163s Unpacking libboost-serialization1.83.0:ppc64el (1.83.0-3.2ubuntu2) ... 163s Selecting previously unselected package libfontconfig1:ppc64el. 163s Preparing to unpack .../056-libfontconfig1_2.15.0-1.1ubuntu2_ppc64el.deb ... 163s Unpacking libfontconfig1:ppc64el (2.15.0-1.1ubuntu2) ... 163s Selecting previously unselected package libpixman-1-0:ppc64el. 163s Preparing to unpack .../057-libpixman-1-0_0.44.0-3_ppc64el.deb ... 163s Unpacking libpixman-1-0:ppc64el (0.44.0-3) ... 163s Selecting previously unselected package libxcb-render0:ppc64el. 163s Preparing to unpack .../058-libxcb-render0_1.17.0-2_ppc64el.deb ... 163s Unpacking libxcb-render0:ppc64el (1.17.0-2) ... 163s Selecting previously unselected package libxcb-shm0:ppc64el. 163s Preparing to unpack .../059-libxcb-shm0_1.17.0-2_ppc64el.deb ... 163s Unpacking libxcb-shm0:ppc64el (1.17.0-2) ... 163s Selecting previously unselected package libxrender1:ppc64el. 163s Preparing to unpack .../060-libxrender1_1%3a0.9.10-1.1build1_ppc64el.deb ... 163s Unpacking libxrender1:ppc64el (1:0.9.10-1.1build1) ... 163s Selecting previously unselected package libcairo2:ppc64el. 163s Preparing to unpack .../061-libcairo2_1.18.2-2_ppc64el.deb ... 163s Unpacking libcairo2:ppc64el (1.18.2-2) ... 163s Selecting previously unselected package libcoordgen3:ppc64el. 163s Preparing to unpack .../062-libcoordgen3_3.0.2-1_ppc64el.deb ... 163s Unpacking libcoordgen3:ppc64el (3.0.2-1) ... 163s Selecting previously unselected package libevent-pthreads-2.1-7t64:ppc64el. 163s Preparing to unpack .../063-libevent-pthreads-2.1-7t64_2.1.12-stable-10_ppc64el.deb ... 163s Unpacking libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 163s Selecting previously unselected package libexpat1-dev:ppc64el. 163s Preparing to unpack .../064-libexpat1-dev_2.6.2-2_ppc64el.deb ... 163s Unpacking libexpat1-dev:ppc64el (2.6.2-2) ... 163s Selecting previously unselected package librdmacm1t64:ppc64el. 163s Preparing to unpack .../065-librdmacm1t64_52.0-2ubuntu1_ppc64el.deb ... 163s Unpacking librdmacm1t64:ppc64el (52.0-2ubuntu1) ... 163s Selecting previously unselected package libfabric1:ppc64el. 163s Preparing to unpack .../066-libfabric1_1.17.0-3ubuntu1_ppc64el.deb ... 163s Unpacking libfabric1:ppc64el (1.17.0-3ubuntu1) ... 163s Selecting previously unselected package libfftw3-double3:ppc64el. 163s Preparing to unpack .../067-libfftw3-double3_3.3.10-1ubuntu4_ppc64el.deb ... 163s Unpacking libfftw3-double3:ppc64el (3.3.10-1ubuntu4) ... 164s Selecting previously unselected package libfftw3-single3:ppc64el. 164s Preparing to unpack .../068-libfftw3-single3_3.3.10-1ubuntu4_ppc64el.deb ... 164s Unpacking libfftw3-single3:ppc64el (3.3.10-1ubuntu4) ... 164s Selecting previously unselected package libgfortran5:ppc64el. 164s Preparing to unpack .../069-libgfortran5_14.2.0-8ubuntu1_ppc64el.deb ... 164s Unpacking libgfortran5:ppc64el (14.2.0-8ubuntu1) ... 164s Selecting previously unselected package libhwloc15:ppc64el. 164s Preparing to unpack .../070-libhwloc15_2.11.2-1_ppc64el.deb ... 164s Unpacking libhwloc15:ppc64el (2.11.2-1) ... 164s Selecting previously unselected package liblapack3:ppc64el. 164s Preparing to unpack .../071-liblapack3_3.12.0-3build2_ppc64el.deb ... 164s Unpacking liblapack3:ppc64el (3.12.0-3build2) ... 164s Selecting previously unselected package libmuparser2v5:ppc64el. 164s Preparing to unpack .../072-libmuparser2v5_2.3.4-1_ppc64el.deb ... 164s Unpacking libmuparser2v5:ppc64el (2.3.4-1) ... 164s Selecting previously unselected package libmunge2:ppc64el. 164s Preparing to unpack .../073-libmunge2_0.5.15-4build1_ppc64el.deb ... 164s Unpacking libmunge2:ppc64el (0.5.15-4build1) ... 164s Selecting previously unselected package libpciaccess0:ppc64el. 164s Preparing to unpack .../074-libpciaccess0_0.17-3build1_ppc64el.deb ... 164s Unpacking libpciaccess0:ppc64el (0.17-3build1) ... 164s Selecting previously unselected package libxnvctrl0:ppc64el. 164s Preparing to unpack .../075-libxnvctrl0_510.47.03-0ubuntu4_ppc64el.deb ... 164s Unpacking libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 164s Selecting previously unselected package ocl-icd-libopencl1:ppc64el. 164s Preparing to unpack .../076-ocl-icd-libopencl1_2.3.2-1build1_ppc64el.deb ... 164s Unpacking ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 164s Selecting previously unselected package libhwloc-plugins:ppc64el. 164s Preparing to unpack .../077-libhwloc-plugins_2.11.2-1_ppc64el.deb ... 164s Unpacking libhwloc-plugins:ppc64el (2.11.2-1) ... 164s Selecting previously unselected package libpmix2t64:ppc64el. 164s Preparing to unpack .../078-libpmix2t64_5.0.3-2_ppc64el.deb ... 164s Unpacking libpmix2t64:ppc64el (5.0.3-2) ... 164s Selecting previously unselected package libibumad3:ppc64el. 164s Preparing to unpack .../079-libibumad3_52.0-2ubuntu1_ppc64el.deb ... 164s Unpacking libibumad3:ppc64el (52.0-2ubuntu1) ... 164s Selecting previously unselected package libibmad5:ppc64el. 164s Preparing to unpack .../080-libibmad5_52.0-2ubuntu1_ppc64el.deb ... 164s Unpacking libibmad5:ppc64el (52.0-2ubuntu1) ... 164s Selecting previously unselected package libucx0:ppc64el. 164s Preparing to unpack .../081-libucx0_1.17.0+ds-3build1_ppc64el.deb ... 164s Unpacking libucx0:ppc64el (1.17.0+ds-3build1) ... 164s Selecting previously unselected package libopenmpi3t64:ppc64el. 164s Preparing to unpack .../082-libopenmpi3t64_4.1.6-13.3ubuntu2_ppc64el.deb ... 164s Unpacking libopenmpi3t64:ppc64el (4.1.6-13.3ubuntu2) ... 164s Selecting previously unselected package libgromacs9:ppc64el. 164s Preparing to unpack .../083-libgromacs9_2024.2-1_ppc64el.deb ... 164s Unpacking libgromacs9:ppc64el (2024.2-1) ... 165s Selecting previously unselected package libio-pty-perl. 165s Preparing to unpack .../084-libio-pty-perl_1%3a1.20-1build3_ppc64el.deb ... 165s Unpacking libio-pty-perl (1:1.20-1build3) ... 165s Selecting previously unselected package libipc-run-perl. 165s Preparing to unpack .../085-libipc-run-perl_20231003.0-2_all.deb ... 165s Unpacking libipc-run-perl (20231003.0-2) ... 165s Selecting previously unselected package libjs-jquery. 165s Preparing to unpack .../086-libjs-jquery_3.6.1+dfsg+~3.5.14-1_all.deb ... 165s Unpacking libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... 165s Selecting previously unselected package libjs-underscore. 165s Preparing to unpack .../087-libjs-underscore_1.13.4~dfsg+~1.11.4-3_all.deb ... 165s Unpacking libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... 165s Selecting previously unselected package libjs-sphinxdoc. 165s Preparing to unpack .../088-libjs-sphinxdoc_7.4.7-4_all.deb ... 165s Unpacking libjs-sphinxdoc (7.4.7-4) ... 165s Selecting previously unselected package libmaeparser1:ppc64el. 165s Preparing to unpack .../089-libmaeparser1_1.3.1-1build1_ppc64el.deb ... 165s Unpacking libmaeparser1:ppc64el (1.3.1-1build1) ... 165s Selecting previously unselected package libopenmm8.1. 165s Preparing to unpack .../090-libopenmm8.1_8.1.2+dfsg-1_ppc64el.deb ... 165s Unpacking libopenmm8.1 (8.1.2+dfsg-1) ... 165s Selecting previously unselected package libopenmm-dev. 165s Preparing to unpack .../091-libopenmm-dev_8.1.2+dfsg-1_ppc64el.deb ... 165s Unpacking libopenmm-dev (8.1.2+dfsg-1) ... 165s Selecting previously unselected package libopenmm-plugins. 165s Preparing to unpack .../092-libopenmm-plugins_8.1.2+dfsg-1_ppc64el.deb ... 165s Unpacking libopenmm-plugins (8.1.2+dfsg-1) ... 165s Selecting previously unselected package zlib1g-dev:ppc64el. 165s Preparing to unpack .../093-zlib1g-dev_1%3a1.3.dfsg+really1.3.1-1ubuntu1_ppc64el.deb ... 165s Unpacking zlib1g-dev:ppc64el (1:1.3.dfsg+really1.3.1-1ubuntu1) ... 165s Selecting previously unselected package libpython3.12-dev:ppc64el. 165s Preparing to unpack .../094-libpython3.12-dev_3.12.7-3_ppc64el.deb ... 165s Unpacking libpython3.12-dev:ppc64el (3.12.7-3) ... 165s Selecting previously unselected package libpython3-dev:ppc64el. 165s Preparing to unpack .../095-libpython3-dev_3.12.7-1_ppc64el.deb ... 165s Unpacking libpython3-dev:ppc64el (3.12.7-1) ... 165s Selecting previously unselected package librdkit1t64. 165s Preparing to unpack .../096-librdkit1t64_202309.3-4_ppc64el.deb ... 165s Unpacking librdkit1t64 (202309.3-4) ... 166s Selecting previously unselected package libtime-duration-perl. 166s Preparing to unpack .../097-libtime-duration-perl_1.21-2_all.deb ... 166s Unpacking libtime-duration-perl (1.21-2) ... 166s Selecting previously unselected package libtimedate-perl. 166s Preparing to unpack .../098-libtimedate-perl_2.3300-2_all.deb ... 166s Unpacking libtimedate-perl (2.3300-2) ... 166s Selecting previously unselected package libxslt1.1:ppc64el. 166s Preparing to unpack .../099-libxslt1.1_1.1.39-0exp1ubuntu1_ppc64el.deb ... 166s Unpacking libxslt1.1:ppc64el (1.1.39-0exp1ubuntu1) ... 166s Selecting previously unselected package moreutils. 166s Preparing to unpack .../100-moreutils_0.69-1_ppc64el.deb ... 166s Unpacking moreutils (0.69-1) ... 166s Selecting previously unselected package pybuild-plugin-autopkgtest. 166s Preparing to unpack .../101-pybuild-plugin-autopkgtest_6.20241024_all.deb ... 166s Unpacking pybuild-plugin-autopkgtest (6.20241024) ... 166s Selecting previously unselected package python3-six. 166s Preparing to unpack .../102-python3-six_1.16.0-7_all.deb ... 166s Unpacking python3-six (1.16.0-7) ... 166s Selecting previously unselected package python3-dateutil. 166s Preparing to unpack .../103-python3-dateutil_2.9.0-2_all.deb ... 166s Unpacking python3-dateutil (2.9.0-2) ... 166s Selecting previously unselected package python3.12-dev. 166s Preparing to unpack .../104-python3.12-dev_3.12.7-3_ppc64el.deb ... 166s Unpacking python3.12-dev (3.12.7-3) ... 166s Selecting previously unselected package python3-dev. 166s Preparing to unpack .../105-python3-dev_3.12.7-1_ppc64el.deb ... 166s Unpacking python3-dev (3.12.7-1) ... 166s Selecting previously unselected package python3-iniconfig. 166s Preparing to unpack .../106-python3-iniconfig_1.1.1-2_all.deb ... 166s Unpacking python3-iniconfig (1.1.1-2) ... 166s Selecting previously unselected package python3-lxml:ppc64el. 166s Preparing to unpack .../107-python3-lxml_5.3.0-1_ppc64el.deb ... 166s Unpacking python3-lxml:ppc64el (5.3.0-1) ... 166s Selecting previously unselected package python3-networkx. 166s Preparing to unpack .../108-python3-networkx_3.2.1-4ubuntu1_all.deb ... 166s Unpacking python3-networkx (3.2.1-4ubuntu1) ... 167s Selecting previously unselected package python3-numpy. 167s Preparing to unpack .../109-python3-numpy_1%3a1.26.4+ds-11build1_ppc64el.deb ... 167s Unpacking python3-numpy (1:1.26.4+ds-11build1) ... 167s Selecting previously unselected package python3-openmm. 167s Preparing to unpack .../110-python3-openmm_8.1.2+dfsg-1_ppc64el.deb ... 167s Unpacking python3-openmm (8.1.2+dfsg-1) ... 167s Selecting previously unselected package python3-packaging. 167s Preparing to unpack .../111-python3-packaging_24.1-1_all.deb ... 167s Unpacking python3-packaging (24.1-1) ... 167s Selecting previously unselected package python3-tz. 167s Preparing to unpack .../112-python3-tz_2024.1-2_all.deb ... 167s Unpacking python3-tz (2024.1-2) ... 167s Selecting previously unselected package python3-pandas-lib:ppc64el. 167s Preparing to unpack .../113-python3-pandas-lib_2.2.3+dfsg-5_ppc64el.deb ... 167s Unpacking python3-pandas-lib:ppc64el (2.2.3+dfsg-5) ... 168s Selecting previously unselected package python3-pandas. 168s Preparing to unpack .../114-python3-pandas_2.2.3+dfsg-5_all.deb ... 168s Unpacking python3-pandas (2.2.3+dfsg-5) ... 168s Selecting previously unselected package python3-parmed. 168s Preparing to unpack .../115-python3-parmed_4.2.2+dfsg-3build1_ppc64el.deb ... 168s Unpacking python3-parmed (4.2.2+dfsg-3build1) ... 168s Selecting previously unselected package python3-pluggy. 168s Preparing to unpack .../116-python3-pluggy_1.5.0-1_all.deb ... 168s Unpacking python3-pluggy (1.5.0-1) ... 168s Selecting previously unselected package python3-pytest. 168s Preparing to unpack .../117-python3-pytest_8.3.3-1_all.deb ... 168s Unpacking python3-pytest (8.3.3-1) ... 168s Selecting previously unselected package rdkit-data. 168s Preparing to unpack .../118-rdkit-data_202309.3-4_all.deb ... 168s Unpacking rdkit-data (202309.3-4) ... 169s Selecting previously unselected package python3-rdkit. 169s Preparing to unpack .../119-python3-rdkit_202309.3-4_ppc64el.deb ... 169s Unpacking python3-rdkit (202309.3-4) ... 169s Selecting previously unselected package libjs-mathjax. 169s Preparing to unpack .../120-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 169s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 170s Selecting previously unselected package gromacs-data. 170s Preparing to unpack .../121-gromacs-data_2024.2-1_all.deb ... 170s Unpacking gromacs-data (2024.2-1) ... 175s Selecting previously unselected package gromacs. 175s Preparing to unpack .../122-gromacs_2024.2-1_ppc64el.deb ... 175s Unpacking gromacs (2024.2-1) ... 175s Selecting previously unselected package autopkgtest-satdep. 175s Preparing to unpack .../123-1-autopkgtest-satdep.deb ... 175s Unpacking autopkgtest-satdep (0) ... 175s Setting up dh-python (6.20241024) ... 175s Setting up libboost-python1.83.0 (1.83.0-3.2ubuntu2) ... 175s Setting up python3-iniconfig (1.1.1-2) ... 175s Setting up libpixman-1-0:ppc64el (0.44.0-3) ... 175s Setting up libpciaccess0:ppc64el (0.17-3build1) ... 175s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 175s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 175s Setting up libxrender1:ppc64el (1:0.9.10-1.1build1) ... 175s Setting up libio-pty-perl (1:1.20-1build3) ... 175s Setting up libxcb-render0:ppc64el (1.17.0-2) ... 175s Setting up libarchive-zip-perl (1.68-1) ... 175s Setting up libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 175s Setting up libdebhelper-perl (13.20ubuntu1) ... 175s Setting up libibumad3:ppc64el (52.0-2ubuntu1) ... 175s Setting up fonts-freefont-ttf (20211204+svn4273-2) ... 175s Setting up m4 (1.4.19-4build1) ... 175s Setting up libxcb-shm0:ppc64el (1.17.0-2) ... 175s Setting up libibmad5:ppc64el (52.0-2ubuntu1) ... 175s Setting up libgomp1:ppc64el (14.2.0-8ubuntu1) ... 175s Setting up rdkit-data (202309.3-4) ... 175s Setting up python3-networkx (3.2.1-4ubuntu1) ... 177s Setting up python3-tz (2024.1-2) ... 177s Setting up libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 177s Setting up python3-six (1.16.0-7) ... 177s Setting up libboost-serialization1.83.0:ppc64el (1.83.0-3.2ubuntu2) ... 177s Setting up autotools-dev (20220109.1) ... 177s Setting up libblas3:ppc64el (3.12.0-3build2) ... 178s update-alternatives: using /usr/lib/powerpc64le-linux-gnu/blas/libblas.so.3 to provide /usr/lib/powerpc64le-linux-gnu/libblas.so.3 (libblas.so.3-powerpc64le-linux-gnu) in auto mode 178s Setting up python3-packaging (24.1-1) ... 178s Setting up libmunge2:ppc64el (0.5.15-4build1) ... 178s Setting up libllvm17t64:ppc64el (1:17.0.6-18) ... 178s Setting up libexpat1-dev:ppc64el (2.6.2-2) ... 178s Setting up libboost-iostreams1.83.0:ppc64el (1.83.0-3.2ubuntu2) ... 178s Setting up libquadmath0:ppc64el (14.2.0-8ubuntu1) ... 178s Setting up libhwloc15:ppc64el (2.11.2-1) ... 178s Setting up libmpc3:ppc64el (1.3.1-1build2) ... 178s Setting up autopoint (0.22.5-2) ... 178s Setting up libipc-run-perl (20231003.0-2) ... 178s Setting up libfftw3-double3:ppc64el (3.3.10-1ubuntu4) ... 178s Setting up libgfortran5:ppc64el (14.2.0-8ubuntu1) ... 178s Setting up libtime-duration-perl (1.21-2) ... 178s Setting up autoconf (2.72-3) ... 178s Setting up python3-pluggy (1.5.0-1) ... 178s Setting up libtimedate-perl (2.3300-2) ... 178s Setting up libubsan1:ppc64el (14.2.0-8ubuntu1) ... 178s Setting up zlib1g-dev:ppc64el (1:1.3.dfsg+really1.3.1-1ubuntu1) ... 178s Setting up dwz (0.15-1build6) ... 178s Setting up ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 178s Setting up libasan8:ppc64el (14.2.0-8ubuntu1) ... 178s Setting up libxslt1.1:ppc64el (1.1.39-0exp1ubuntu1) ... 178s Setting up debugedit (1:5.1-1) ... 178s Setting up librdmacm1t64:ppc64el (52.0-2ubuntu1) ... 178s Setting up python3-dateutil (2.9.0-2) ... 178s Setting up libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 178s Setting up libmuparser2v5:ppc64el (2.3.4-1) ... 178s Setting up libtsan2:ppc64el (14.2.0-8ubuntu1) ... 178s Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... 178s Setting up libcoordgen3:ppc64el (3.0.2-1) ... 178s Setting up libisl23:ppc64el (0.27-1) ... 178s Setting up python3-parmed (4.2.2+dfsg-3build1) ... 178s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:28: SyntaxWarning: invalid escape sequence '\s' 178s '%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) 178s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:34: SyntaxWarning: invalid escape sequence '\s' 178s '%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:329: SyntaxWarning: invalid escape sequence '\S' 178s "(?:_(.+?)[.](\S+))" "|" # _category.attribute 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:331: SyntaxWarning: invalid escape sequence '\s' 178s "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:332: SyntaxWarning: invalid escape sequence '\s' 178s "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:334: SyntaxWarning: invalid escape sequence '\s' 178s "(?:\s*#.*$)" "|" # comments (dumped) 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:336: SyntaxWarning: invalid escape sequence '\S' 178s "(\S+)" # unquoted words 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:401: SyntaxWarning: invalid escape sequence '\S' 178s "(?:_(.+?)[.](\S+))" "|" # _category.attribute 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:403: SyntaxWarning: invalid escape sequence '\s' 178s "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:405: SyntaxWarning: invalid escape sequence '\s' 178s "(?:\s*#.*$)" "|" # comments (dumped) 178s /usr/lib/python3/dist-packages/parmed/formats/pdbx/PdbxReader.py:407: SyntaxWarning: invalid escape sequence '\S' 178s "(\S+)" # unquoted words 179s Setting up libopenmm8.1 (8.1.2+dfsg-1) ... 179s Setting up libcc1-0:ppc64el (14.2.0-8ubuntu1) ... 179s Setting up liblsan0:ppc64el (14.2.0-8ubuntu1) ... 179s Setting up libitm1:ppc64el (14.2.0-8ubuntu1) ... 179s Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... 179s Setting up libdrm-amdgpu1:ppc64el (2.4.123-1) ... 179s Setting up automake (1:1.16.5-1.3ubuntu1) ... 179s update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode 179s Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... 179s Setting up libfabric1:ppc64el (1.17.0-3ubuntu1) ... 179s Setting up gromacs-data (2024.2-1) ... 179s Setting up liblapack3:ppc64el (3.12.0-3build2) ... 179s update-alternatives: using /usr/lib/powerpc64le-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/powerpc64le-linux-gnu/liblapack.so.3 (liblapack.so.3-powerpc64le-linux-gnu) in auto mode 179s Setting up gettext (0.22.5-2) ... 179s Setting up libfftw3-single3:ppc64el (3.3.10-1ubuntu4) ... 179s Setting up moreutils (0.69-1) ... 179s Setting up fontconfig-config (2.15.0-1.1ubuntu2) ... 179s Setting up python3-pytest (8.3.3-1) ... 180s Setting up libpython3.12-dev:ppc64el (3.12.7-3) ... 180s Setting up libhwloc-plugins:ppc64el (2.11.2-1) ... 180s Setting up libopenmm-dev (8.1.2+dfsg-1) ... 180s Setting up intltool-debian (0.35.0+20060710.6) ... 180s Setting up libmaeparser1:ppc64el (1.3.1-1build1) ... 180s Setting up python3.12-dev (3.12.7-3) ... 180s Setting up libpmix2t64:ppc64el (5.0.3-2) ... 180s Setting up cpp-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 180s Setting up python3-numpy (1:1.26.4+ds-11build1) ... 182s Setting up libjs-sphinxdoc (7.4.7-4) ... 182s Setting up cpp-14 (14.2.0-8ubuntu1) ... 182s Setting up libopenmm-plugins (8.1.2+dfsg-1) ... 182s Setting up dh-strip-nondeterminism (1.14.0-1) ... 182s Setting up python3-openmm (8.1.2+dfsg-1) ... 182s /usr/lib/python3/dist-packages/openmm/__init__.py:16: SyntaxWarning: invalid escape sequence '\p' 182s os.environ['PATH'] = '%(lib)s;%(lib)s\plugins;%(path)s' % { 182s /usr/lib/python3/dist-packages/openmm/app/gromacsgrofile.py:62: SyntaxWarning: invalid escape sequence '\.' 182s return match('^[-+]?[0-9]*\.?[0-9]*([eEdD][-+]?[0-9]+)?$',word) 182s /usr/lib/python3/dist-packages/openmm/app/internal/amber_file_parser.py:65: SyntaxWarning: invalid escape sequence '\(' 182s FORMAT_RE_PATTERN=re.compile("([0-9]+)\(?([a-zA-Z]+)([0-9]+)\.?([0-9]*)\)?") 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbstructure.py:1071: SyntaxWarning: invalid escape sequence '\.' 182s if not re.match("pdb.%2s.\.ent\.gz" % subdir , pdb_file): 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbstructure.py:1082: SyntaxWarning: invalid escape sequence '\.' 182s if not re.match("pdb.%2s.\.ent\.gz" % subdir , pdb_file): 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:358: SyntaxWarning: invalid escape sequence '\S' 182s "(?:_(.+?)[.](\S+))" "|" # _category.attribute 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:360: SyntaxWarning: invalid escape sequence '\s' 182s "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:361: SyntaxWarning: invalid escape sequence '\s' 182s "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:363: SyntaxWarning: invalid escape sequence '\s' 182s "(?:\s*#.*$)" "|" # comments (dumped) 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:365: SyntaxWarning: invalid escape sequence '\S' 182s "(\S+)" # unquoted words 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:416: SyntaxWarning: invalid escape sequence '\S' 182s """ Tokenizer method for the mmCIF syntax file - 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:444: SyntaxWarning: invalid escape sequence '\S' 182s "(?:_(.+?)[.](\S+))" "|" # _category.attribute 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:446: SyntaxWarning: invalid escape sequence '\s' 182s "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:448: SyntaxWarning: invalid escape sequence '\s' 182s "(?:\s*#.*$)" "|" # comments (dumped) 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:450: SyntaxWarning: invalid escape sequence '\S' 182s "(\S+)" # unquoted words 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:347: SyntaxWarning: invalid escape sequence '\S' 182s "(?:_(.+?)[.](\S+))" "|" # _category.attribute 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:349: SyntaxWarning: invalid escape sequence '\s' 182s "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:350: SyntaxWarning: invalid escape sequence '\s' 182s "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:352: SyntaxWarning: invalid escape sequence '\s' 182s "(?:\s*#.*$)" "|" # comments (dumped) 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:354: SyntaxWarning: invalid escape sequence '\S' 182s "(\S+)" # unquoted words 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:419: SyntaxWarning: invalid escape sequence '\S' 182s "(?:_(.+?)[.](\S+))" "|" # _category.attribute 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:421: SyntaxWarning: invalid escape sequence '\s' 182s "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:423: SyntaxWarning: invalid escape sequence '\s' 182s "(?:\s*#.*$)" "|" # comments (dumped) 182s /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:425: SyntaxWarning: invalid escape sequence '\S' 182s "(\S+)" # unquoted words 182s /usr/lib/python3/dist-packages/openmm/app/metadynamics.py:247: SyntaxWarning: invalid escape sequence '\.' 182s pattern = re.compile('bias_(.*)_(.*)\.npy') 182s /usr/lib/python3/dist-packages/openmm/openmm.py:8376: SyntaxWarning: invalid escape sequence '\S' 182s match = re.search("<([^?]\S*)", inputString) 182s Setting up python3-lxml:ppc64el (5.3.0-1) ... 183s Setting up libfontconfig1:ppc64el (2.15.0-1.1ubuntu2) ... 183s Setting up libgcc-14-dev:ppc64el (14.2.0-8ubuntu1) ... 183s Setting up libstdc++-14-dev:ppc64el (14.2.0-8ubuntu1) ... 183s Setting up libhsakmt1:ppc64el (5.7.0-1build1) ... 183s Setting up cpp-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 183s Setting up gcc-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 183s Setting up libpython3-dev:ppc64el (3.12.7-1) ... 183s Setting up g++-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 183s Setting up po-debconf (1.0.21+nmu1) ... 183s Setting up python3-pandas-lib:ppc64el (2.2.3+dfsg-5) ... 183s Setting up libcairo2:ppc64el (1.18.2-2) ... 183s Setting up gcc-14 (14.2.0-8ubuntu1) ... 183s Setting up python3-pandas (2.2.3+dfsg-5) ... 189s Setting up gcc-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 189s Setting up python3-dev (3.12.7-1) ... 189s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 189s Setting up cpp (4:14.1.0-2ubuntu1) ... 189s Setting up g++-14 (14.2.0-8ubuntu1) ... 189s Setting up g++-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 189s Setting up librdkit1t64 (202309.3-4) ... 189s Setting up libtool (2.4.7-7build1) ... 189s Setting up gcc (4:14.1.0-2ubuntu1) ... 189s Setting up dh-autoreconf (20) ... 189s Setting up libamdhip64-5 (5.7.1-5) ... 189s Setting up python3-rdkit (202309.3-4) ... 190s Setting up g++ (4:14.1.0-2ubuntu1) ... 190s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 190s Setting up build-essential (12.10ubuntu1) ... 190s Setting up libucx0:ppc64el (1.17.0+ds-3build1) ... 190s Setting up debhelper (13.20ubuntu1) ... 190s Setting up libopenmpi3t64:ppc64el (4.1.6-13.3ubuntu2) ... 190s Setting up libgromacs9:ppc64el (2024.2-1) ... 190s Setting up pybuild-plugin-autopkgtest (6.20241024) ... 190s Setting up gromacs (2024.2-1) ... 190s Setting up autopkgtest-satdep (0) ... 190s Processing triggers for man-db (2.12.1-3) ... 193s Processing triggers for install-info (7.1.1-1) ... 193s Processing triggers for libc-bin (2.40-1ubuntu3) ... 199s (Reading database ... 113279 files and directories currently installed.) 199s Removing autopkgtest-satdep (0) ... 199s autopkgtest [19:14:53]: test pybuild-autopkgtest: pybuild-autopkgtest 199s autopkgtest [19:14:53]: test pybuild-autopkgtest: [----------------------- 200s pybuild-autopkgtest 201s I: pybuild base:311: cd /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build; python3.12 -m pytest -k 'not test_download' 209s ============================= test session starts ============================== 209s platform linux -- Python 3.12.7, pytest-8.3.3, pluggy-1.5.0 209s rootdir: /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build 209s plugins: typeguard-4.4.1 209s collected 916 items / 19 deselected / 897 selected 209s 235s test/test_format_conversions.py .....s..sss.s... [ 1%] 253s test/test_openmm_amber.py .......s..............s..sss.............. [ 6%] 253s test/test_openmm_amber_forces.py ss.s [ 6%] 255s test/test_openmm_charmm.py ...........x [ 8%] 258s test/test_openmm_gromacs.py .ss.s.ss.. [ 9%] 260s test/test_openmm_reporters.py ....s [ 9%] 276s test/test_parmed_amber.py ....................................s..s.ss... [ 15%] 285s s............................................. [ 20%] 316s test/test_parmed_charmm.py ...................................... [ 24%] 320s test/test_parmed_cif.py ......... [ 25%] 330s test/test_parmed_dlpoly.py ... [ 25%] 330s test/test_parmed_entos.py ssss [ 26%] 352s test/test_parmed_formats.py ............................................ [ 31%] 448s ..........s.....s............................................. [ 38%] 448s test/test_parmed_genopen.py ...ss.ss.s.s... [ 39%] 448s test/test_parmed_geometry.py ...... [ 40%] 477s test/test_parmed_gromacs.py ............................................ [ 45%] 488s .......... [ 46%] 488s test/test_parmed_gromacs_cpp.py ...................... [ 48%] 488s test/test_parmed_misc.py . [ 48%] 494s test/test_parmed_modeller.py ......................................ss... [ 53%] 512s ..... [ 54%] 512s test/test_parmed_namd.py .. [ 54%] 512s test/test_parmed_netcdf.py ... [ 54%] 541s test/test_parmed_openmm.py ..............sssssss...... [ 57%] 545s test/test_parmed_pandas.py ....... [ 58%] 548s test/test_parmed_parameterset.py .... [ 59%] 548s test/test_parmed_rdkit.py .... [ 59%] 548s test/test_parmed_residue.py ............. [ 60%] 548s test/test_parmed_rosetta.py sss [ 61%] 557s test/test_parmed_serialization.py ................ [ 63%] 576s test/test_parmed_structure.py .......................................... [ 67%] 581s ....s. [ 68%] 589s test/test_parmed_structure_slicing.py ........................ [ 71%] 594s test/test_parmed_tinker.py s... [ 71%] 594s test/test_parmed_topologyobjects.py ................................. [ 75%] 594s test/test_parmed_unit.py ............................................... [ 80%] 594s ....... [ 81%] 615s test/test_parmedtools_actions.py ................................ss..ss. [ 85%] 619s ...............Using parm /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.1 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.2 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.3 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.4 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.5 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.6 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.7 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.8 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.9 619s Printing /tmp/autopkgtest.SJqCMt/autopkgtest_tmp/build/test/files/ash.parm7.10 630s ......................................................... [ 93%] 642s ..................................x.......... [ 98%] 642s test/test_parmedtools_parmlist.py ..... [ 99%] 642s test/test_vec3.py ....... [100%] 642s 642s =============================== warnings summary =============================== 642s ../../../../usr/lib/python3/dist-packages/parmed/charmm/parameters.py:894: 1 warning 642s test/test_openmm_charmm.py: 1 warning 642s test/test_parmed_gromacs.py: 1 warning 642s test/test_parmed_openmm.py: 4 warnings 642s test/test_parmed_structure.py: 1 warning 642s test/test_parmedtools_actions.py: 5 warnings 642s /usr/lib/python3/dist-packages/parmed/charmm/parameters.py:894: ParameterWarning: WARNING: Ignoring "DELETE ACCE NE2" because entity type ACCE not used. 642s warnings.warn( 642s 642s test/test_format_conversions.py::TestGromacsToAmber::test_energy_complicated 642s test/test_openmm_gromacs.py::TestGromacsTop::test_dppc 642s test/test_openmm_gromacs.py::TestGromacsTop::test_round_trip 642s test/test_parmed_gromacs.py::TestGromacsTop::test_duplicate_system_names 642s test/test_parmed_gromacs.py::TestGromacsTop::test_molecule_combine 642s test/test_parmed_gromacs.py::TestGromacsTop::test_molecule_ordering 642s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:1124: GromacsWarning: 192 1-4 pairs were missing from the [ pairs ] section and were set to zero; make sure you know what you're doing! 642s warnings.warn('%i 1-4 pairs were missing from the [ pairs ] ' 642s 642s test/test_openmm_gromacs.py::TestGromacsTop::test_round_trip 642s /usr/lib/python3/dist-packages/parmed/openmm/topsystem.py:203: OpenMMWarning: Unsupported Force type CustomNonbondedForce 642s warnings.warn(f'Unsupported Force type {force.__class__.__name__}', OpenMMWarning) 642s 642s test/test_openmm_reporters.py::TestTrajRestartReporter::test_reporters 642s test/test_parmed_netcdf.py::TestNetCDF::testBadNetCDFFiles 642s test/test_parmed_netcdf.py::TestNetCDF::testNetCDF 642s test/test_parmed_netcdf.py::TestNetCDF::testRemdFiles 642s test/test_parmedtools_actions.py::TestAmberParmActions::test_openmm_action 642s test/test_parmedtools_actions.py::TestAmberParmActions::test_write_coordinates 642s /usr/lib/python3/dist-packages/parmed/amber/netcdffiles.py:393: UserWarning: Could not find netCDF4 module. Falling back on scipy implementation, which can significantly slow down simulations if used as a reporter 642s warnings.warn('Could not find netCDF4 module. Falling back on ' 642s 642s test/test_openmm_reporters.py::TestTrajRestartReporter::test_reporters 642s test/test_parmed_netcdf.py::TestNetCDF::testNetCDF 642s test/test_parmed_netcdf.py::TestNetCDF::testRemdFiles 642s test/test_parmed_structure.py::TestStructureSave::test_save_ncrst7 642s test/test_parmedtools_actions.py::TestAmberParmActions::test_parmout_outparm_load_restrt 642s test/test_parmedtools_actions.py::TestAmberParmActions::test_write_coordinates 642s /usr/lib/python3/dist-packages/parmed/amber/netcdffiles.py:79: UserWarning: Could not find netCDF4 module. Falling back on scipy implementation, which can significantly slow down simulations if used as a reporter 642s warnings.warn('Could not find netCDF4 module. Falling back on ' 642s 642s test/test_parmed_amber.py::TestReadParm::test_amber_parm_from_structure 642s /usr/lib/python3/dist-packages/parmed/amber/_chamberparm.py:213: AmberWarning: Periodicity of 0 detected with non-zero force constant. Changing periodicity to 1 and force constant to 0 to ensure 1-4 nonbonded pairs are properly identified. This might cause a shift in the energy, but will leave forces unaffected 642s warnings.warn('Periodicity of 0 detected with non-zero force constant. Changing ' 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (13741376); expected 1376 for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -10, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -25, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -35, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -50, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -55, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -65, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -70, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -85, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -95, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -110, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -115, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -125, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -130, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -145, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -155, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 5 atoms for residue CHCL3BOX 642s warnings.warn( 642s 642s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 642s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 642s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -870, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -875, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -880, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -885, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -890, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -895, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -905, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -910, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -915, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -920, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -925, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -930, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -935, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -940, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -945, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -950, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -955, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -960, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -965, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -970, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -975, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -980, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -985, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -990, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -995, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1000, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1005, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1010, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1015, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1020, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1025, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1030, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1035, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1040, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1045, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1050, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1055, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1060, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1065, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1070, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1075, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1085, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1090, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1095, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1100, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1105, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1110, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1115, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1120, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1125, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1130, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1135, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1140, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1145, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1150, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1155, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1160, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1165, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1870, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1875, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1880, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1885, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1890, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1895, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1900, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1905, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1910, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1915, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1920, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1925, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1930, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1935, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1940, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1945, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1950, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1955, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1960, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1965, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1970, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1975, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1980, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1985, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1990, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1995, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2000, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2005, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2010, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2015, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2020, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2025, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2030, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2035, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2040, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2045, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2050, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2055, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2060, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2065, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2070, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2075, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2080, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2085, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2090, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2095, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2100, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2105, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2110, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2115, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2120, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2125, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2130, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2135, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2140, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2145, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2150, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2155, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2160, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2165, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2870, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2875, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2880, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2885, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2890, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2895, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2900, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2905, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2910, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2915, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2920, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2925, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2930, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2935, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2940, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2945, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2950, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2955, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2960, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2965, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2970, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2975, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2980, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2985, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2990, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2995, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3000, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3005, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3010, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3015, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3020, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3025, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3030, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3035, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3040, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3045, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3050, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3055, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3060, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3065, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3070, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3075, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3080, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3085, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3090, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3095, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3100, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3105, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3110, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3115, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3120, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3125, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3130, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3135, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3140, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3145, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3150, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3155, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3160, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3165, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3870, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3875, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3880, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3885, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3890, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3895, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3900, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3905, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3910, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3915, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3920, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3925, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3930, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3935, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3940, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3945, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3950, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3955, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3960, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3965, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3970, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3975, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3980, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3985, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3990, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3995, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4000, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4005, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4010, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4015, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4020, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4025, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4030, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4035, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4040, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4045, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4050, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4055, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4060, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4065, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4070, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4075, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4080, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4085, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4090, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4095, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4100, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4105, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4110, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4115, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4120, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4125, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4130, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4135, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4140, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4145, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4150, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4155, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4160, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4165, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4870, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4875, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4880, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4885, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4890, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4895, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4900, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4905, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4910, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4915, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4920, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4925, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4930, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4935, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4940, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4945, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4950, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4955, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4960, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4965, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4970, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4975, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4980, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4985, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4990, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4995, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5000, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5005, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5010, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5015, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5020, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5025, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5030, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5035, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5040, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5045, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5050, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5055, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5060, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5065, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5070, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5075, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5080, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5085, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5090, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5095, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5100, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5105, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5110, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5115, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5120, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5125, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5130, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5135, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5140, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5145, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5150, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5155, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5160, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5165, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5870, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5875, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5880, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5885, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5890, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5895, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5900, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5905, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5910, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5915, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5920, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5925, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5930, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5935, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5940, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5945, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5950, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5955, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5960, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5965, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5970, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5975, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5980, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5985, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5990, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5995, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6000, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6005, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6010, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6015, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6020, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6025, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6030, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6035, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6040, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6045, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6050, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6055, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6060, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6065, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6070, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6075, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6080, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6085, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6090, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6095, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6100, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6105, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6110, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6115, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6120, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6125, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6130, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6135, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6140, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6145, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6150, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6155, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6160, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6165, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6170, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6175, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6180, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6185, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6190, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6195, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6200, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6205, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6210, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6215, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6220, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6225, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6230, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6235, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6240, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6245, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6250, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6255, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6260, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6265, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6270, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6275, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6280, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6285, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6290, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6295, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6300, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6305, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6310, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6315, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6320, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6325, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6330, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6335, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6340, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6345, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6350, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6355, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6360, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6365, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6370, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6375, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6380, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6385, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6390, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6395, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6400, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6405, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6410, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6415, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6420, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6425, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6430, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6435, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6440, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6445, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6450, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6455, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6460, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6465, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6470, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6475, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6480, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6485, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6490, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6495, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6500, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6505, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6510, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6515, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6520, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6525, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6530, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6535, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6540, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6545, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6550, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6555, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6560, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6565, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6570, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6575, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6580, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6585, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6590, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6595, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6600, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6605, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6610, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6615, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6620, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6625, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6630, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6635, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6640, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6645, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6650, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6655, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6660, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6665, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6670, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6675, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6680, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6685, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6690, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6695, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6700, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6705, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6710, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6715, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6720, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6725, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6730, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6735, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6740, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6745, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6750, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6755, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6760, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6765, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6770, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6775, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6780, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6785, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6790, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6795, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6800, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6805, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6810, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6815, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6820, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6825, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6830, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6835, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6840, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6845, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6850, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6855, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6860, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6865, not 5 atoms for residue CHCL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (1240126); expected 126 for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (MEOHBOX). Ignored... 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -654, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -666, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -678, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -690, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -702, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -714, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -726, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -738, not 6 atoms for residue MEOHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (1240126); expected 126 for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (NMABOX). Ignored... 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -864, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -876, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -888, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -912, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -924, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -936, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -948, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -960, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -972, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -984, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -996, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1008, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1020, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1032, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1044, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1056, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1068, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1092, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1104, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1116, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1128, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1140, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1152, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1164, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1176, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1188, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1200, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1212, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1224, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1236, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1248, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1272, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1284, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1296, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1308, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1320, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1332, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1344, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1356, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1368, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1380, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1392, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1404, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1416, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1428, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1452, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1464, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1476, not 12 atoms for residue NMABOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (OPCBOX). Ignored... 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -8, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -16, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -28, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -32, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -44, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -52, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -56, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -64, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -68, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -76, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -88, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -92, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -104, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -112, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -116, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -124, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -128, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -136, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -148, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -152, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -164, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -172, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -176, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -184, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -188, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -196, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -208, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -212, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -224, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -232, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -236, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -244, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -248, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -256, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -268, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -272, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -284, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -292, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -296, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -304, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -308, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -316, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -328, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -332, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -344, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -352, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -356, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -364, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -368, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -376, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -388, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -392, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -404, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -412, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -416, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -424, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -428, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -436, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -448, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -452, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -464, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -472, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -476, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -484, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -488, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -496, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -508, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -512, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -524, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -532, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -536, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -544, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -548, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -556, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -568, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -572, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -584, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -592, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -596, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -604, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -608, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -616, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -628, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -632, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -644, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -652, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -656, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -664, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -668, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -676, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -688, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -692, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -704, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -712, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -716, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -724, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -728, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -736, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -748, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -752, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -764, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -772, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -776, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -784, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -788, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -796, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -808, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -812, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -824, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -832, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -836, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -844, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -848, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -856, not 4 atoms for residue OPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (POL3BOX). Ignored... 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue POL3BOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue QSPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue SPCBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue SPCFWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue TIP3PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue TIP3PFBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (TIP4PBOX). Ignored... 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -8, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -16, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -28, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -32, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -44, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -52, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -56, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -64, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -68, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -76, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -88, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -92, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -104, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -112, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -116, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -124, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -128, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -136, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -148, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -152, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -164, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -172, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -176, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -184, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -188, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -196, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -208, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -212, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -224, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -232, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -236, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -244, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -248, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -256, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -268, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -272, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -284, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -292, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -296, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -304, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -308, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -316, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -328, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -332, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -344, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -352, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -356, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -364, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -368, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -376, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -388, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -392, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -404, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -412, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -416, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -424, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -428, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -436, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -448, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -452, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -464, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -472, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -476, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -484, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -488, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -496, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -508, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -512, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -524, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -532, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -536, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -544, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -548, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -556, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -568, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -572, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -584, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -592, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -596, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -604, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -608, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -616, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -628, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -632, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -644, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -652, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -656, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -664, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -668, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -676, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -688, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -692, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -704, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -712, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -716, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -724, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -728, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -736, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -748, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -752, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -764, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -772, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -776, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -784, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -788, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -796, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -808, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -812, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -824, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -832, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -836, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -844, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -848, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -856, not 4 atoms for residue TIP4PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (TIP4PEWBOX). Ignored... 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -8, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -16, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -28, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -32, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -44, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -52, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -56, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -64, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -68, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -76, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -88, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -92, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -104, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -112, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -116, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -124, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -128, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -136, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -148, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -152, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -164, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -172, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -176, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -184, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -188, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -196, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -208, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -212, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -224, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -232, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -236, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -244, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -248, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -256, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -268, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -272, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -284, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -292, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -296, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -304, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -308, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -316, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -328, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -332, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -344, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -352, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -356, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -364, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -368, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -376, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -388, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -392, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -404, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -412, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -416, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -424, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -428, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -436, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -448, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -452, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -464, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -472, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -476, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -484, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -488, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -496, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -508, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -512, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -524, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -532, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -536, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -544, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -548, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -556, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -568, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -572, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -584, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -592, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -596, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -604, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -608, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -616, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -628, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -632, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -644, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -652, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -656, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -664, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -668, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -676, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -688, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -692, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -704, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -712, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -716, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -724, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -728, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -736, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -748, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -752, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -764, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -772, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -776, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -784, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -788, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -796, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -808, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -812, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -824, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -832, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -836, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -844, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -848, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -856, not 4 atoms for residue TIP4PEWBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -10, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -25, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -35, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -50, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -55, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -65, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -70, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -85, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -95, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -110, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -115, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -125, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -130, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -145, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -155, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -170, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -175, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -185, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -190, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -205, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -215, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -230, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -235, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -245, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -250, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -265, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -275, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -290, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -295, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -305, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -310, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -325, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -335, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -350, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -355, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -365, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -370, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -385, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -395, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -410, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -415, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -425, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -430, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -445, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -455, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -470, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -475, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -485, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -490, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -505, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -515, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -530, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -535, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -545, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -550, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -565, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -575, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -590, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -595, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -605, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -610, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -625, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -635, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -645, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -650, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -655, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -665, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -670, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -675, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -685, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -690, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -695, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -705, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -710, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -715, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -725, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -730, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -735, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -745, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -750, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -755, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -765, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -770, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -775, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -785, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -790, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -795, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -805, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -810, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -815, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -825, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -830, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -835, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -845, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -850, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -855, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -860, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -865, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -870, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -875, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -880, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -885, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -890, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -895, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -905, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -910, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -915, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -920, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -925, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -930, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -935, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -940, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -945, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -950, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -955, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -960, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -965, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -970, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -975, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -980, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -985, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -990, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -995, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1000, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1005, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1010, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1015, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1020, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1025, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1030, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1035, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1040, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1045, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1050, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1055, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1060, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1065, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1070, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1075, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1085, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1090, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1095, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1100, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1105, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1110, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1115, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1120, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1125, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1130, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1135, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1140, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1145, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1150, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1155, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1160, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1165, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1170, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1175, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1180, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1185, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1190, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1195, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1200, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1205, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1210, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1215, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1220, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1225, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1230, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1235, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1240, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1245, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1250, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1255, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1265, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1270, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1275, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1280, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1285, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1290, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1295, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1300, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1305, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1310, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1315, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1320, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1325, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1330, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1335, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1340, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1345, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1350, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1355, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1360, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1365, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1370, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1375, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1380, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1385, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1390, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1395, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1400, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1405, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1410, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1415, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1420, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1425, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1430, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1435, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1445, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1450, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1455, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1460, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1465, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1470, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1475, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1480, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1485, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1490, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1495, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1500, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1505, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1510, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1515, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1520, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1525, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1530, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1535, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1540, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1545, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1550, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1555, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1560, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1565, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1570, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1575, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1580, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1585, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1590, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1595, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1600, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1605, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1610, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1615, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1620, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1625, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1630, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1635, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1640, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1645, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1650, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1655, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1660, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1665, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1670, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1675, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1680, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1685, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1690, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1695, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents 643s test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1700, not 5 atoms for residue TIP5PBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -666, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -702, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -738, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -774, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -810, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -846, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -864, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -882, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -918, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -936, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -954, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -972, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -990, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1008, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1026, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1044, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1062, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1098, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1116, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1134, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1152, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1170, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1188, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1206, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1224, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1242, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1278, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1296, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1314, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1332, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1350, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1368, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1386, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1404, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1422, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1458, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1476, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1494, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1512, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1530, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1548, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1566, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1584, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1602, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1620, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1638, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1656, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1674, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1692, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1710, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1728, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1746, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1764, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1782, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1800, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1818, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1836, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1854, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1872, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1890, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1908, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1926, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1944, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1962, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1980, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1998, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2016, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2034, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2052, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2070, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2088, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2106, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2124, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2142, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2160, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2178, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2196, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box 643s /usr/lib/python3/dist-packages/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2214, not 18 atoms for residue CYCHBOX 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_load_leaprc_with_mol2 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:291: AmberWarning: Multi-residue mol2 files not supported by tleap. Loading anyway using names in mol2 643s warnings.warn('Multi-residue mol2 files not supported by tleap. Loading anyway ' 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_dat_bad_equivalencing 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:537: AmberWarning: C and CA expected to be equal but are not 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_dat_bad_equivalencing 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:537: AmberWarning: C and CM expected to be equal but are not 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('N', 'CX', 'C', 'ND'), got dihedral ('ND', 'CX', 'C', 'N') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('ND', 'CX', 'C', 'N'), got dihedral ('ND', 'CX', 'C', 'ND') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('ND', 'CX', 'C', 'ND'), got dihedral ('N', 'CX', 'C', 'ND') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('OH', 'CT', 'CT', 'OA'), got dihedral ('OA', 'CT', 'CT', 'OA') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('OA', 'CT', 'CT', 'OA'), got dihedral ('OH', 'CT', 'CT', 'OA') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('N', 'CX', 'C', 'TN'), got dihedral ('TN', 'CX', 'C', 'N') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('TN', 'CX', 'C', 'N'), got dihedral ('TN', 'CX', 'C', 'TN') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('TN', 'CX', 'C', 'TN'), got dihedral ('N', 'CX', 'C', 'TN') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('TN', 'CX', 'C', 'ND'), got dihedral ('ND', 'CX', 'C', 'TN') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('ND', 'CX', 'C', 'TN'), got dihedral ('TN', 'CX', 'C', 'ND') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('N', 'TG', 'C', 'ND'), got dihedral ('ND', 'TG', 'C', 'N') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('ND', 'TG', 'C', 'N'), got dihedral ('ND', 'TG', 'C', 'ND') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('ND', 'TG', 'C', 'ND'), got dihedral ('N', 'TG', 'C', 'ND') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('N', 'TG', 'C', 'TN'), got dihedral ('TN', 'TG', 'C', 'N') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('TN', 'TG', 'C', 'N'), got dihedral ('TN', 'TG', 'C', 'TN') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('TN', 'TG', 'C', 'TN'), got dihedral ('N', 'TG', 'C', 'TN') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('TN', 'TG', 'C', 'ND'), got dihedral ('ND', 'TG', 'C', 'TN') 643s warnings.warn( 643s 643s test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit 643s /usr/lib/python3/dist-packages/parmed/amber/parameters.py:637: ParameterWarning: Expecting next term in dihedral ('ND', 'TG', 'C', 'TN'), got dihedral ('TN', 'TG', 'C', 'ND') 643s warnings.warn( 643s 643s test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:851: PDBWarning: Could not find atom belonging to anisou tensor with key AtomLookupKey(name='CA', number=' a', residue_name='ALA', residue_number='1', chain='A', insertion_code='', segment_id='', alternate_location=''). Line: ANISOU a CA ALA A 1 10000 20000 30000 40000 50000 60000 643s 643s warnings.warn( 643s 643s test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:851: PDBWarning: Could not find atom belonging to anisou tensor with key AtomLookupKey(name='CA', number=' 1', residue_name='ALA', residue_number='a', chain='A', insertion_code='', segment_id='', alternate_location=''). Line: ANISOU 1 CA ALA A a 10000 20000 30000 40000 50000 60000 643s 643s warnings.warn( 643s 643s test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:656: PDBWarning: Problem parsing anisotropic factors from ANISOU record from: ANISOU 1 CA ALA A 1 a 20000 30000 40000 50000 60000 643s 643s warnings.warn('Problem parsing anisotropic factors from ANISOU record from: ' + line, 643s 643s test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:851: PDBWarning: Could not find atom belonging to anisou tensor with key AtomLookupKey(name='CB', number=' 1', residue_name='ALA', residue_number='1', chain='A', insertion_code='', segment_id='', alternate_location=''). Line: ANISOU 1 CB ALA A 1 10000 20000 30000 40000 50000 60000 643s 643s warnings.warn( 643s 643s test/test_parmed_formats.py::TestPDBStructure::test_pdb_with_models 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:757: PDBWarning: MODEL 2 begun before last model ended. Assuming it is ending 643s warnings.warn( 643s 643s test/test_parmed_formats.py::TestPDBStructure::test_pdb_with_models 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:757: PDBWarning: MODEL 3 begun before last model ended. Assuming it is ending 643s warnings.warn( 643s 643s test/test_parmed_formats.py::TestParmedPQRStructure::test_pqr_parsing_with_models 643s /usr/lib/python3/dist-packages/parmed/formats/pqr.py:192: PDBWarning: MODEL not explicitly ended 643s warnings.warn('MODEL not explicitly ended', PDBWarning) 643s 643s test/test_parmed_formats.py::TestCIFStructure::test_parse_cif_element_determination 643s test/test_parmed_structure_slicing.py::TestStructureSlicing::test_structure_box_and_space_group_and_symmetry 643s /usr/lib/python3/dist-packages/parmed/formats/pdb.py:1533: PDBWarning: Problem processing anisotropic B-factors. Skipping 643s warnings.warn('Problem processing anisotropic B-factors. Skipping', PDBWarning) 643s 643s test/test_parmed_gromacs.py::TestGromacsTop::test_bad_top_loads 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:443: GromacsWarning: Unsupported nonbonded type; unknown functional 643s warnings.warn('Unsupported nonbonded type; unknown functional', 643s 643s test/test_parmed_gromacs.py::TestGromacsTop::test_top_parsing_missing_types 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:602: GromacsWarning: bond funct != 1; unknown functional 643s warnings.warn('bond funct != 1; unknown functional', 643s 643s test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_angles 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:650: GromacsWarning: angles funct != 1 or 5; unknown functional 643s warnings.warn('angles funct != 1 or 5; unknown ' 643s 643s test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_angletypes 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:884: GromacsWarning: angletypes funct != 1 or 5; unknown functional 643s warnings.warn('angletypes funct != 1 or 5; unknown functional', 643s 643s test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_bondtypes 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:871: GromacsWarning: bondtypes funct != 1; unknown functional 643s warnings.warn('bondtypes funct != 1; unknown functional', 643s 643s test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_cmaps 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:741: GromacsWarning: cmap funct != 1; unknown functional 643s warnings.warn('cmap funct != 1; unknown functional', 643s 643s test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_dihedraltypes 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:922: GromacsWarning: dihedraltypes funct not supported 643s warnings.warn('dihedraltypes funct not supported', GromacsWarning) 643s 643s test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_pairs 643s /usr/lib/python3/dist-packages/parmed/gromacs/gromacstop.py:627: GromacsWarning: pairs funct != 1; unknown functional 643s warnings.warn('pairs funct != 1; unknown functional', 643s 643s test/test_parmed_gromacs_cpp.py::TestGromacsCpp::test_define 643s /usr/lib/python3/dist-packages/parmed/gromacs/_cpp.py:301: PreProcessorWarning: MYVAR already defined; overwriting 643s warnings.warn(f'{words[0]} already defined; overwriting', PreProcessorWarning) 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:251: UserWarning: 8 patches discarded, 23 retained 643s warnings.warn(f'{len(discarded_patches)} patches discarded, {len(new_params.patches)} retained') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as 643s warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as 643s warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as 643s warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as 643s warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as 643s warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to 643s warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:251: UserWarning: 18 patches discarded, 91 retained 643s warnings.warn(f'{len(discarded_patches)} patches discarded, {len(new_params.patches)} retained') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as 643s warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy 643s /usr/lib/python3/dist-packages/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to 643s warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') 643s 643s test/test_parmedtools_actions.py::TestNonParmActions::test_chamber_model 643s /usr/lib/python3/dist-packages/parmed/charmm/parameters.py:835: ParameterWarning: Replacing residue ALAD 643s warnings.warn(f'Replacing residue {resname}', ParameterWarning) 643s 643s test/test_parmedtools_actions.py::TestAmberParmActions::test_change 643s /usr/lib/python3/dist-packages/parmed/tools/actions.py:729: ParmWarning: Only 4 letters allowed for ATOM_NAME entries! Truncating remaining letters. 643s warnings.warn(f'Only 4 letters allowed for {prop} entries! Truncating remaining letters.', 643s 643s test/test_parmedtools_actions.py::TestAmberParmActions::test_energy_openmm 643s /usr/lib/python3/dist-packages/parmed/tools/simulations/openmm.py:896: SimulationWarning: The CPU platform only uses single precision 643s warnings.warn('The CPU platform only uses single precision', SimulationWarning) 643s 643s test/test_parmedtools_actions.py::TestAmberParmActions::test_openmm_action 643s /usr/lib/python3/dist-packages/parmed/tools/simulations/openmm.py:191: SimulationWarning: ntwr is set quite low (2). Consider much larger values to improve computational performance. 643s warnings.warn('ntwr is set quite low (%d). Consider much larger values ' 643s 643s test/test_parmedtools_actions.py::TestAmberParmActions::test_openmm_action 643s /usr/lib/python3/dist-packages/parmed/tools/simulations/openmm.py:479: SimulationWarning: The CPU platform only uses single precision 643s warnings.warn('The CPU platform only uses single precision', SimulationWarning) 643s 643s test/test_parmedtools_actions.py::TestAmberParmActions::test_set_molecules 643s test/test_parmedtools_actions.py::TestAmoebaParmActions::test_delete_bond 643s /usr/lib/python3/dist-packages/parmed/amber/_amberparm.py:742: AmberWarning: Molecule atoms are not contiguous! Attempting to reorder to fix. 643s warn('Molecule atoms are not contiguous! Attempting to reorder to fix.', AmberWarning) 643s 643s test/test_parmedtools_actions.py::TestAmoebaParmActions::test_change 643s /usr/lib/python3/dist-packages/parmed/tools/actions.py:768: ParmWarning: change MASS: @NOTHING matches no atoms 643s warnings.warn(f'change {self.prop}: {self.mask} matches no atoms', ParmWarning) 643s 643s test/test_parmedtools_actions.py::TestAmoebaParmActions::test_delete_bond 643s /usr/lib/python3/dist-packages/parmed/amber/_amberparm.py:748: AmberWarning: Residues cannot be part of 2 molecules! Molecule section will not be correctly set. [Offending residue is 643s warn('Residues cannot be part of 2 molecules! Molecule ' 643s 643s test/test_parmedtools_actions.py::TestOtherParm::test_h_mass_repartition 643s /usr/lib/python3/dist-packages/parmed/tools/actions.py:3322: ParmWarning: H atom detected not bound to heteroatom. Ignoring. 643s warnings.warn('H atom detected not bound to heteroatom. Ignoring.', ParmWarning) 643s 643s -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 643s = 841 passed, 54 skipped, 19 deselected, 2 xfailed, 12016 warnings in 440.68s (0:07:20) = 645s autopkgtest [19:22:19]: test pybuild-autopkgtest: -----------------------] 646s pybuild-autopkgtest PASS 646s autopkgtest [19:22:20]: test pybuild-autopkgtest: - - - - - - - - - - results - - - - - - - - - - 647s autopkgtest [19:22:21]: @@@@@@@@@@@@@@@@@@@@ summary 647s pybuild-autopkgtest PASS 659s virt: nova [W] Using flock in prodstack6-ppc64el 659s virt: Creating nova instance adt-plucky-ppc64el-parmed-20241113-191133-juju-7f2275-prod-proposed-migration-environment-2-4fb2b005-d641-45de-a6e9-2dad910f1808 from image adt/ubuntu-plucky-ppc64el-server-20241113.img (UUID 0c5715b6-5cca-4485-b8bf-b85dfd917a5f)...