Tue Dec 17 02:21:07 UTC 2024 I: starting to build parmed/unstable/amd64 on jenkins on '2024-12-17 02:21' Tue Dec 17 02:21:07 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_4/40334/console.log Tue Dec 17 02:21:07 UTC 2024 I: Downloading source for unstable/parmed=4.3.0+dfsg-2 --2024-12-17 02:21:07-- http://deb.debian.org/debian/pool/main/p/parmed/parmed_4.3.0%2bdfsg-2.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2352 (2.3K) [text/prs.lines.tag] Saving to: ‘parmed_4.3.0+dfsg-2.dsc’ 0K .. 100% 389M=0s 2024-12-17 02:21:07 (389 MB/s) - ‘parmed_4.3.0+dfsg-2.dsc’ saved [2352/2352] Tue Dec 17 02:21:08 UTC 2024 I: parmed_4.3.0+dfsg-2.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: parmed Binary: python3-parmed Architecture: any Version: 4.3.0+dfsg-2 Maintainer: Debichem Team Uploaders: Andrius Merkys , Homepage: https://parmed.github.io/ParmEd/html/index.html Standards-Version: 4.6.1 Vcs-Browser: https://salsa.debian.org/debichem-team/parmed Vcs-Git: https://salsa.debian.org/debichem-team/parmed.git Testsuite: autopkgtest-pkg-pybuild Build-Depends: debhelper-compat (= 13), dh-python, gromacs , gromacs-data , libopenmm-plugins , moreutils, python3-dev, python3-lxml , python3-networkx , python3-numpy , python3-openmm , python3-pandas , python3-pytest , python3-rdkit , python3-setuptools, python3-versioneer Package-List: python3-parmed deb science optional arch=any Checksums-Sha1: 23c359da1ed15292cccae178c4418c65f1f941ac 48452764 parmed_4.3.0+dfsg.orig.tar.xz c184dd925f21f77d98f0e5ba005deab0397f6843 7288 parmed_4.3.0+dfsg-2.debian.tar.xz Checksums-Sha256: 822f1ea346683f816e2a03780fed2dc4b3d1c1362698bd14458ae871968886fb 48452764 parmed_4.3.0+dfsg.orig.tar.xz c37130034199917fd34431d9503297e3150143f8cce20020374017732e8732d3 7288 parmed_4.3.0+dfsg-2.debian.tar.xz Files: 237d0c277092e38f9b3818aa3eeb6fd6 48452764 parmed_4.3.0+dfsg.orig.tar.xz 1e17fae8592756ddb9d9d3682d91eb6e 7288 parmed_4.3.0+dfsg-2.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJGBAEBCgAwFiEEdyKS9veshfrgQdQe5fQ/nCc08ocFAmdERiwSHG1lcmt5c0Bk ZWJpYW4ub3JnAAoJEOX0P5wnNPKH+KsP/j8rG02BeEwKrZ/9bEtvLsYqsTfVypfO lqYzH34fhNSzYGmLgV/OFJmG1EEztam9fPBal7W9kOOa5ex5bBDxj6J+FrY3NXHD f1NuVL0ptGWBmn5hXKsQKmLWjuuxwp7pby8pHMTEBwKY0XlJ3nb4aFWebYiqQxJf plz2XUMMnmPX1w69Oyf74GaI8NH8SJtL4z4YG57QJZpoHJeoA/A4OAxvzZov7ofI GbcesmMODOI6wcn+5MYLG41t68MKDIVSR2g6pOQTX5rWdpPzYU64XbzeIreAQMtP a4wNpKHLPiULjgs7AbcEdCxung9imHtDjyR5yEZXGEstd1xqTPue/JGu0V5cUZOm XFAgn5PyoQ0gkDNkedSf06xqqdZyHknrl1rssrUvkO3dFDpWZCRUAM8WVPI3XMU9 BqEOW1H9ez3I1K4dmHd+5w9C+33hgSKjU5iShnSN5jcf271mDBKBTa1E1TMY+nbR ZrFx8M+4cC5i/LjL6o7EBsyy82ehQJQv/KFhQs2X8xSeOPJwf18u86vqMSz0EAjO 1XImYXdwiZIsSf+VAk6hRLahZ4GtG2lePiUJqe8lSYbSpopr1Zw/Fo2NtTM7dYfl 8q/ws2UtsepUUUepoB5Wn/LtAii5C/nvbWd0GIn6ym/1hXuS5Bqc/TODGQd8T+hM ZVAyoJzmBJgu =MKiw -----END PGP SIGNATURE----- Tue Dec 17 02:21:08 UTC 2024 I: Checking whether the package is not for us Tue Dec 17 02:21:08 UTC 2024 I: Starting 1st build on remote node ionos15-amd64.debian.net. Tue Dec 17 02:21:08 UTC 2024 I: Preparing to do remote build '1' on ionos15-amd64.debian.net. Tue Dec 17 02:28:48 UTC 2024 I: Deleting $TMPDIR on ionos15-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sun Jan 18 20:44:11 -12 2026 I: pbuilder-time-stamp: 1768812251 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [parmed_4.3.0+dfsg-2.dsc] I: copying [./parmed_4.3.0+dfsg.orig.tar.xz] I: copying [./parmed_4.3.0+dfsg-2.debian.tar.xz] I: Extracting source gpgv: Signature made Mon Nov 25 09:41:00 2024 gpgv: using RSA key 772292F6F7AC85FAE041D41EE5F43F9C2734F287 gpgv: issuer "merkys@debian.org" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./parmed_4.3.0+dfsg-2.dsc: no acceptable signature found dpkg-source: info: extracting parmed in parmed-4.3.0+dfsg dpkg-source: info: unpacking parmed_4.3.0+dfsg.orig.tar.xz dpkg-source: info: unpacking parmed_4.3.0+dfsg-2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying skip-network-tests.patch dpkg-source: info: applying periodicity-must-be-positive.patch dpkg-source: info: applying skip-tests-after-file-removal.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2223704/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='ad8ca9f350ec4d5a8dd4db532de53923' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='2223704' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/pbuilderrc_LG2t --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/b1 --logfile b1/build.log parmed_4.3.0+dfsg-2.dsc' SUDO_GID='111' SUDO_UID='106' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://213.165.73.152:3128' I: uname -a Linux ionos15-amd64 6.11.5+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.11.5-1~bpo12+1 (2024-11-11) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2223704/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), dh-python, gromacs, gromacs-data, libopenmm-plugins, moreutils, python3-dev, python3-lxml, python3-networkx, python3-numpy, python3-openmm, python3-pandas, python3-pytest, python3-rdkit, python3-setuptools, python3-versioneer dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19965 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on gromacs; however: Package gromacs is not installed. pbuilder-satisfydepends-dummy depends on gromacs-data; however: Package gromacs-data is not installed. pbuilder-satisfydepends-dummy depends on libopenmm-plugins; however: Package libopenmm-plugins is not installed. pbuilder-satisfydepends-dummy depends on moreutils; however: Package moreutils is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-lxml; however: Package python3-lxml is not installed. pbuilder-satisfydepends-dummy depends on python3-networkx; however: Package python3-networkx is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-openmm; however: Package python3-openmm is not installed. pbuilder-satisfydepends-dummy depends on python3-pandas; however: Package python3-pandas is not installed. pbuilder-satisfydepends-dummy depends on python3-pytest; however: Package python3-pytest is not installed. pbuilder-satisfydepends-dummy depends on python3-rdkit; however: Package python3-rdkit is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on python3-versioneer; however: Package python3-versioneer is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdextrautils{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} dwz{a} file{a} fontconfig-config{a} fonts-freefont-ttf{a} fonts-mathjax{a} gettext{a} gettext-base{a} groff-base{a} gromacs{a} gromacs-data{a} ibverbs-providers{a} intltool-debian{a} isa-support{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas3{a} libboost-numpy1.83.0{a} libboost-python1.83.0{a} libboost-serialization1.83.0{a} libbrotli1{a} libcairo2{a} libcom-err2{a} libcoordgen3{a} libdebhelper-perl{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libfftw3-double3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libgfortran5{a} libgromacs9{a} libgssapi-krb5-2{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libinchi1.07{a} libio-pty-perl{a} libipc-run-perl{a} libjs-jquery{a} libjs-mathjax{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblapack3{a} libllvm17t64{a} libmaeparser1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libmuparser2v5{a} libnl-3-200{a} libnl-route-3-200{a} libnsl2{a} libnuma1{a} libopenmm-dev{a} libopenmm-plugins{a} libopenmm8.1{a} libopenmpi40{a} libpciaccess0{a} libpipeline1{a} libpixman-1-0{a} libpmix2t64{a} libpng16-16t64{a} libpsm-infinipath1{a} libpsm2-2{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.12-dev{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libpython3.12t64{a} librdkit1t64{a} librdmacm1t64{a} libreadline8t64{a} libtime-duration-perl{a} libtimedate-perl{a} libtirpc-common{a} libtirpc3t64{a} libtool{a} libuchardet0{a} libucx0{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libz3-4{a} m4{a} man-db{a} media-types{a} moreutils{a} netbase{a} ocl-icd-libopencl1{a} po-debconf{a} python3{a} python3-autocommand{a} python3-dateutil{a} python3-dev{a} python3-inflect{a} python3-iniconfig{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-lxml{a} python3-minimal{a} python3-more-itertools{a} python3-networkx{a} python3-numpy{a} python3-openmm{a} python3-packaging{a} python3-pandas{a} python3-pandas-lib{a} python3-pkg-resources{a} python3-pluggy{a} python3-pytest{a} python3-rdkit{a} python3-setuptools{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-versioneer{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} rdkit-data{a} readline-common{a} sensible-utils{a} sse4.2-support{a} tzdata{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl javascript-common krb5-locales libarchive-cpio-perl libltdl-dev libmail-sendmail-perl lynx mpi-default-bin python3-bottleneck python3-bs4 python3-cssselect python3-gdal python3-html5lib python3-jinja2 python3-matplotlib python3-numba python3-numexpr python3-odf python3-openpyxl python3-pydot python3-pygments python3-pygraphviz python3-scipy python3-tables python3-yaml wget 0 packages upgraded, 166 newly installed, 0 to remove and 0 not upgraded. Need to get 262 MB of archives. After unpacking 1332 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main amd64 libpython3.12-minimal amd64 3.12.8-3 [817 kB] Get: 2 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 3 http://deb.debian.org/debian unstable/main amd64 python3.12-minimal amd64 3.12.8-3 [2162 kB] Get: 4 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.12.7-1 [26.8 kB] Get: 5 http://deb.debian.org/debian unstable/main amd64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian unstable/main amd64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian unstable/main amd64 tzdata all 2024b-4 [256 kB] Get: 8 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.21.3-3 [32.5 kB] Get: 9 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.2~rc1-2 [23.8 kB] Get: 10 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.21.3-3 [79.9 kB] Get: 11 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 12 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.21.3-3 [324 kB] Get: 13 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.21.3-3 [136 kB] Get: 14 http://deb.debian.org/debian unstable/main amd64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian unstable/main amd64 libtirpc3t64 amd64 1.3.4+ds-1.3+b1 [83.1 kB] Get: 16 http://deb.debian.org/debian unstable/main amd64 libnsl2 amd64 1.3.0-3+b3 [40.6 kB] Get: 17 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.2-6 [69.4 kB] Get: 18 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.2-6 [169 kB] Get: 19 http://deb.debian.org/debian unstable/main amd64 libpython3.12-stdlib amd64 3.12.8-3 [1969 kB] Get: 20 http://deb.debian.org/debian unstable/main amd64 python3.12 amd64 3.12.8-3 [677 kB] Get: 21 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.12.7-1 [9712 B] Get: 22 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.12.7-1 [27.8 kB] Get: 23 http://deb.debian.org/debian unstable/main amd64 isa-support amd64 26 [15.0 kB] Get: 24 http://deb.debian.org/debian unstable/main amd64 sse4.2-support amd64 26 [3492 B] Get: 25 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 26 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 27 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 28 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 29 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 0.22.5-3 [200 kB] Get: 30 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 31 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.23.0-6 [1184 kB] Get: 32 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.40.2-12 [92.0 kB] Get: 33 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 34 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 35 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.19-4 [287 kB] Get: 36 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.72-3 [493 kB] Get: 37 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 38 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 39 http://deb.debian.org/debian unstable/main amd64 autopoint all 0.22.5-3 [723 kB] Get: 40 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 13.21 [88.9 kB] Get: 41 http://deb.debian.org/debian unstable/main amd64 libtool all 2.4.7-8 [517 kB] Get: 42 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 43 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 44 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 45 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 46 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 47 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 48 http://deb.debian.org/debian unstable/main amd64 libicu72 amd64 72.1-5+b1 [9423 kB] Get: 49 http://deb.debian.org/debian unstable/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b1 [699 kB] Get: 50 http://deb.debian.org/debian unstable/main amd64 gettext amd64 0.22.5-3 [1600 kB] Get: 51 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 52 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 53 http://deb.debian.org/debian unstable/main amd64 debhelper all 13.21 [919 kB] Get: 54 http://deb.debian.org/debian unstable/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 55 http://deb.debian.org/debian unstable/main amd64 python3-more-itertools all 10.5.0-1 [63.8 kB] Get: 56 http://deb.debian.org/debian unstable/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 57 http://deb.debian.org/debian unstable/main amd64 python3-typeguard all 4.4.1-1 [37.0 kB] Get: 58 http://deb.debian.org/debian unstable/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 59 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 60 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 61 http://deb.debian.org/debian unstable/main amd64 python3-pkg-resources all 75.2.0-1 [213 kB] Get: 62 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 63 http://deb.debian.org/debian unstable/main amd64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 64 http://deb.debian.org/debian unstable/main amd64 python3-setuptools all 75.2.0-1 [731 kB] Get: 65 http://deb.debian.org/debian unstable/main amd64 dh-python all 6.20241024 [109 kB] Get: 66 http://deb.debian.org/debian unstable/main amd64 fonts-freefont-ttf all 20211204+svn4273-2 [5318 kB] Get: 67 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.15.0-1.1+b1 [318 kB] Get: 68 http://deb.debian.org/debian unstable/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2210 kB] Get: 69 http://deb.debian.org/debian unstable/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5667 kB] Get: 70 http://deb.debian.org/debian unstable/main amd64 gromacs-data all 2024.4-1 [43.4 MB] Get: 71 http://deb.debian.org/debian unstable/main amd64 libblas3 amd64 3.12.0-4 [152 kB] Get: 72 http://deb.debian.org/debian unstable/main amd64 libfftw3-double3 amd64 3.3.10-2+b1 [781 kB] Get: 73 http://deb.debian.org/debian unstable/main amd64 libfftw3-single3 amd64 3.3.10-2+b1 [809 kB] Get: 74 http://deb.debian.org/debian unstable/main amd64 libhwloc15 amd64 2.11.2-1 [164 kB] Get: 75 http://deb.debian.org/debian unstable/main amd64 libgfortran5 amd64 14.2.0-8 [836 kB] Get: 76 http://deb.debian.org/debian unstable/main amd64 liblapack3 amd64 3.12.0-4 [2450 kB] Get: 77 http://deb.debian.org/debian unstable/main amd64 libmuparser2v5 amd64 2.3.4-1+b1 [149 kB] Get: 78 http://deb.debian.org/debian unstable/main amd64 libevent-core-2.1-7t64 amd64 2.1.12-stable-10+b1 [132 kB] Get: 79 http://deb.debian.org/debian unstable/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10+b1 [54.3 kB] Get: 80 http://deb.debian.org/debian unstable/main amd64 libnl-3-200 amd64 3.7.0-0.3+b1 [59.4 kB] Get: 81 http://deb.debian.org/debian unstable/main amd64 libnl-route-3-200 amd64 3.7.0-0.3+b1 [182 kB] Get: 82 http://deb.debian.org/debian unstable/main amd64 libibverbs1 amd64 52.0-2+b1 [62.2 kB] Get: 83 http://deb.debian.org/debian unstable/main amd64 ibverbs-providers amd64 52.0-2+b1 [343 kB] Get: 84 http://deb.debian.org/debian unstable/main amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [170 kB] Get: 85 http://deb.debian.org/debian unstable/main amd64 libnuma1 amd64 2.0.18-1+b1 [22.3 kB] Get: 86 http://deb.debian.org/debian unstable/main amd64 libpsm2-2 amd64 11.2.185-2.1 [181 kB] Get: 87 http://deb.debian.org/debian unstable/main amd64 librdmacm1t64 amd64 52.0-2+b1 [70.4 kB] Get: 88 http://deb.debian.org/debian unstable/main amd64 libfabric1 amd64 1.17.0-3.1 [631 kB] Get: 89 http://deb.debian.org/debian unstable/main amd64 libmunge2 amd64 0.5.15-4+b1 [20.0 kB] Get: 90 http://deb.debian.org/debian unstable/main amd64 libpciaccess0 amd64 0.17-3+b2 [51.9 kB] Get: 91 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 92 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 93 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 94 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 95 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 96 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b2 [50.5 kB] Get: 97 http://deb.debian.org/debian unstable/main amd64 libxnvctrl0 amd64 535.171.04-1+b1 [14.2 kB] Get: 98 http://deb.debian.org/debian unstable/main amd64 ocl-icd-libopencl1 amd64 2.3.2-1+b2 [40.2 kB] Get: 99 http://deb.debian.org/debian unstable/main amd64 libhwloc-plugins amd64 2.11.2-1 [18.1 kB] Get: 100 http://deb.debian.org/debian unstable/main amd64 libpmix2t64 amd64 5.0.4-1 [661 kB] Get: 101 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20240808-1 [93.9 kB] Get: 102 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get: 103 http://deb.debian.org/debian unstable/main amd64 libllvm17t64 amd64 1:17.0.6-18 [23.6 MB] Get: 104 http://deb.debian.org/debian unstable/main amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3+b2 [13.0 MB] Get: 105 http://deb.debian.org/debian unstable/main amd64 libdrm-common all 2.4.123-1 [8084 B] Get: 106 http://deb.debian.org/debian unstable/main amd64 libdrm2 amd64 2.4.123-1 [38.7 kB] Get: 107 http://deb.debian.org/debian unstable/main amd64 libdrm-amdgpu1 amd64 2.4.123-1 [22.3 kB] Get: 108 http://deb.debian.org/debian unstable/main amd64 libhsakmt1 amd64 6.1.2+ds-1 [59.8 kB] Get: 109 http://deb.debian.org/debian unstable/main amd64 libhsa-runtime64-1 amd64 6.1.2-2 [535 kB] Get: 110 http://deb.debian.org/debian unstable/main amd64 libamdhip64-5 amd64 5.7.1-5 [8877 kB] Get: 111 http://deb.debian.org/debian unstable/main amd64 libibumad3 amd64 52.0-2+b1 [28.2 kB] Get: 112 http://deb.debian.org/debian unstable/main amd64 libibmad5 amd64 52.0-2+b1 [43.4 kB] Get: 113 http://deb.debian.org/debian unstable/main amd64 libucx0 amd64 1.17.0+ds-3 [1130 kB] Get: 114 http://deb.debian.org/debian unstable/main amd64 libopenmpi40 amd64 5.0.6-3 [2360 kB] Get: 115 http://deb.debian.org/debian unstable/main amd64 libgromacs9 amd64 2024.4-1+b1 [32.0 MB] Get: 116 http://deb.debian.org/debian unstable/main amd64 gromacs amd64 2024.4-1+b1 [64.2 kB] Get: 117 http://deb.debian.org/debian unstable/main amd64 libboost-python1.83.0 amd64 1.83.0-4 [320 kB] Get: 118 http://deb.debian.org/debian unstable/main amd64 libboost-numpy1.83.0 amd64 1.83.0-4 [242 kB] Get: 119 http://deb.debian.org/debian unstable/main amd64 libboost-serialization1.83.0 amd64 1.83.0-4 [333 kB] Get: 120 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.1.0-2+b6 [302 kB] Get: 121 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.44-3 [280 kB] Get: 122 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 123 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.15.0-1.1+b1 [391 kB] Get: 124 http://deb.debian.org/debian unstable/main amd64 libpixman-1-0 amd64 0.44.0-3 [248 kB] Get: 125 http://deb.debian.org/debian unstable/main amd64 libxcb-render0 amd64 1.17.0-2+b1 [115 kB] Get: 126 http://deb.debian.org/debian unstable/main amd64 libxcb-shm0 amd64 1.17.0-2+b1 [105 kB] Get: 127 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.10-1.1+b3 [27.8 kB] Get: 128 http://deb.debian.org/debian unstable/main amd64 libcairo2 amd64 1.18.2-2 [535 kB] Get: 129 http://deb.debian.org/debian unstable/main amd64 libcoordgen3 amd64 3.0.2-1+b2 [225 kB] Get: 130 http://deb.debian.org/debian unstable/main amd64 libexpat1-dev amd64 2.6.4-1 [158 kB] Get: 131 http://deb.debian.org/debian unstable/main amd64 libinchi1.07 amd64 1.07.1+dfsg-6 [557 kB] Get: 132 http://deb.debian.org/debian unstable/main amd64 libio-pty-perl amd64 1:1.20-1+b2 [34.3 kB] Get: 133 http://deb.debian.org/debian unstable/main amd64 libipc-run-perl all 20231003.0-2 [101 kB] Get: 134 http://deb.debian.org/debian unstable/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 135 http://deb.debian.org/debian unstable/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 136 http://deb.debian.org/debian unstable/main amd64 libjs-sphinxdoc all 8.1.3-2 [30.3 kB] Get: 137 http://deb.debian.org/debian unstable/main amd64 libmaeparser1 amd64 1.3.1-1+b2 [94.0 kB] Get: 138 http://deb.debian.org/debian unstable/main amd64 libopenmm8.1 amd64 8.1.2+dfsg-1+b1 [1058 kB] Get: 139 http://deb.debian.org/debian unstable/main amd64 libopenmm-dev amd64 8.1.2+dfsg-1+b1 [346 kB] Get: 140 http://deb.debian.org/debian unstable/main amd64 libopenmm-plugins amd64 8.1.2+dfsg-1+b1 [1457 kB] Get: 141 http://deb.debian.org/debian unstable/main amd64 libpython3.12t64 amd64 3.12.8-3 [2154 kB] Get: 142 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Get: 143 http://deb.debian.org/debian unstable/main amd64 libpython3.12-dev amd64 3.12.8-3 [5134 kB] Get: 144 http://deb.debian.org/debian unstable/main amd64 libpython3-dev amd64 3.12.7-1 [9976 B] Get: 145 http://deb.debian.org/debian unstable/main amd64 librdkit1t64 amd64 202409.2-2 [5344 kB] Get: 146 http://deb.debian.org/debian unstable/main amd64 libtime-duration-perl all 1.21-2 [13.1 kB] Get: 147 http://deb.debian.org/debian unstable/main amd64 libtimedate-perl all 2.3300-2 [39.3 kB] Get: 148 http://deb.debian.org/debian unstable/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 149 http://deb.debian.org/debian unstable/main amd64 moreutils amd64 0.69-1 [62.8 kB] Get: 150 http://deb.debian.org/debian unstable/main amd64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 151 http://deb.debian.org/debian unstable/main amd64 python3.12-dev amd64 3.12.8-3 [505 kB] Get: 152 http://deb.debian.org/debian unstable/main amd64 python3-dev amd64 3.12.7-1 [26.1 kB] Get: 153 http://deb.debian.org/debian unstable/main amd64 python3-iniconfig all 1.1.1-2 [6396 B] Get: 154 http://deb.debian.org/debian unstable/main amd64 python3-lxml amd64 5.3.0-1+b1 [1676 kB] Get: 155 http://deb.debian.org/debian unstable/main amd64 python3-networkx all 3.2.1-5 [13.0 MB] Get: 156 http://deb.debian.org/debian unstable/main amd64 python3-numpy amd64 1:1.26.4+ds-12 [4738 kB] Get: 157 http://deb.debian.org/debian unstable/main amd64 python3-openmm amd64 8.1.2+dfsg-1+b1 [6792 kB] Get: 158 http://deb.debian.org/debian unstable/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 159 http://deb.debian.org/debian unstable/main amd64 python3-tz all 2024.1-2 [30.9 kB] Get: 160 http://deb.debian.org/debian unstable/main amd64 python3-pandas-lib amd64 2.2.3+dfsg-5+b1 [7307 kB] Get: 161 http://deb.debian.org/debian unstable/main amd64 python3-pandas all 2.2.3+dfsg-5 [3096 kB] Get: 162 http://deb.debian.org/debian unstable/main amd64 python3-pluggy all 1.5.0-1 [26.9 kB] Get: 163 http://deb.debian.org/debian unstable/main amd64 python3-pytest all 8.3.4-1 [250 kB] Get: 164 http://deb.debian.org/debian unstable/main amd64 rdkit-data all 202409.2-2 [13.2 MB] Get: 165 http://deb.debian.org/debian unstable/main amd64 python3-rdkit amd64 202409.2-2 [4492 kB] Get: 166 http://deb.debian.org/debian unstable/main amd64 python3-versioneer all 0.29-1 [43.0 kB] Fetched 262 MB in 7s (36.5 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:amd64. (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 ... 19965 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.8-3_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.8-3) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.4-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.4-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.8-3_amd64.deb ... Unpacking python3.12-minimal (3.12.8-3) ... Setting up libpython3.12-minimal:amd64 (3.12.8-3) ... Setting up libexpat1:amd64 (2.6.4-1) ... Setting up python3.12-minimal (3.12.8-3) ... Selecting previously unselected package python3-minimal. (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 ... 20285 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.7-1_amd64.deb ... Unpacking python3-minimal (3.12.7-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../03-tzdata_2024b-4_all.deb ... Unpacking tzdata (2024b-4) ... Selecting previously unselected package libkrb5support0:amd64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_amd64.deb ... Unpacking libkrb5support0:amd64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:amd64. Preparing to unpack .../05-libcom-err2_1.47.2~rc1-2_amd64.deb ... Unpacking libcom-err2:amd64 (1.47.2~rc1-2) ... Selecting previously unselected package libk5crypto3:amd64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_amd64.deb ... Unpacking libk5crypto3:amd64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:amd64. Preparing to unpack .../07-libkeyutils1_1.6.3-4_amd64.deb ... Unpacking libkeyutils1:amd64 (1.6.3-4) ... Selecting previously unselected package libkrb5-3:amd64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_amd64.deb ... Unpacking libkrb5-3:amd64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:amd64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_amd64.deb ... Unpacking libgssapi-krb5-2:amd64 (1.21.3-3) ... Selecting previously unselected package libtirpc-common. Preparing to unpack .../10-libtirpc-common_1.3.4+ds-1.3_all.deb ... Unpacking libtirpc-common (1.3.4+ds-1.3) ... Selecting previously unselected package libtirpc3t64:amd64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3+b1_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3 to /lib/x86_64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3.0.0 to /lib/x86_64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:amd64 (1.3.4+ds-1.3+b1) ... Selecting previously unselected package libnsl2:amd64. Preparing to unpack .../12-libnsl2_1.3.0-3+b3_amd64.deb ... Unpacking libnsl2:amd64 (1.3.0-3+b3) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:amd64. Preparing to unpack .../14-libreadline8t64_8.2-6_amd64.deb ... Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8 to /lib/x86_64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libhistory.so.8.2 to /lib/x86_64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8 to /lib/x86_64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/x86_64-linux-gnu/libreadline.so.8.2 to /lib/x86_64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:amd64 (8.2-6) ... Selecting previously unselected package libpython3.12-stdlib:amd64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.8-3_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.8-3) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.8-3_amd64.deb ... Unpacking python3.12 (3.12.8-3) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../17-libpython3-stdlib_3.12.7-1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.12.7-1) ... Setting up python3-minimal (3.12.7-1) ... Selecting previously unselected package python3. (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 ... 21348 files and directories currently installed.) Preparing to unpack .../python3_3.12.7-1_amd64.deb ... Unpacking python3 (3.12.7-1) ... Selecting previously unselected package isa-support:amd64. Preparing to unpack .../isa-support_26_amd64.deb ... Unpacking isa-support:amd64 (26) ... Setting up isa-support:amd64 (26) ... Selecting previously unselected package sse4.2-support. (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 ... 21396 files and directories currently installed.) Preparing to unpack .../000-sse4.2-support_26_amd64.deb ... Unpacking sse4.2-support (26) ... Selecting previously unselected package sensible-utils. 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Unpacking python3.12-dev (3.12.8-3) ... Selecting previously unselected package python3-dev. Preparing to unpack .../128-python3-dev_3.12.7-1_amd64.deb ... Unpacking python3-dev (3.12.7-1) ... Selecting previously unselected package python3-iniconfig. Preparing to unpack .../129-python3-iniconfig_1.1.1-2_all.deb ... Unpacking python3-iniconfig (1.1.1-2) ... Selecting previously unselected package python3-lxml:amd64. Preparing to unpack .../130-python3-lxml_5.3.0-1+b1_amd64.deb ... Unpacking python3-lxml:amd64 (5.3.0-1+b1) ... Selecting previously unselected package python3-networkx. Preparing to unpack .../131-python3-networkx_3.2.1-5_all.deb ... Unpacking python3-networkx (3.2.1-5) ... Selecting previously unselected package python3-numpy. Preparing to unpack .../132-python3-numpy_1%3a1.26.4+ds-12_amd64.deb ... Unpacking python3-numpy (1:1.26.4+ds-12) ... Selecting previously unselected package python3-openmm. Preparing to unpack .../133-python3-openmm_8.1.2+dfsg-1+b1_amd64.deb ... Unpacking python3-openmm (8.1.2+dfsg-1+b1) ... Selecting previously unselected package python3-packaging. Preparing to unpack .../134-python3-packaging_24.2-1_all.deb ... Unpacking python3-packaging (24.2-1) ... Selecting previously unselected package python3-tz. Preparing to unpack .../135-python3-tz_2024.1-2_all.deb ... Unpacking python3-tz (2024.1-2) ... Selecting previously unselected package python3-pandas-lib:amd64. Preparing to unpack .../136-python3-pandas-lib_2.2.3+dfsg-5+b1_amd64.deb ... Unpacking python3-pandas-lib:amd64 (2.2.3+dfsg-5+b1) ... Selecting previously unselected package python3-pandas. Preparing to unpack .../137-python3-pandas_2.2.3+dfsg-5_all.deb ... Unpacking python3-pandas (2.2.3+dfsg-5) ... Selecting previously unselected package python3-pluggy. Preparing to unpack .../138-python3-pluggy_1.5.0-1_all.deb ... Unpacking python3-pluggy (1.5.0-1) ... Selecting previously unselected package python3-pytest. 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Setting up fonts-mathjax (2.7.9+dfsg-1) ... Setting up libfftw3-single3:amd64 (3.3.10-2+b1) ... Setting up libicu72:amd64 (72.1-5+b1) ... Setting up bsdextrautils (2.40.2-12) ... Setting up libjs-mathjax (2.7.9+dfsg-1) ... Setting up libio-pty-perl (1:1.20-1+b2) ... Setting up libmagic-mgc (1:5.45-3+b1) ... Setting up libxcb-render0:amd64 (1.17.0-2+b1) ... Setting up libarchive-zip-perl (1.68-1) ... Setting up libtirpc-common (1.3.4+ds-1.3) ... Setting up libdebhelper-perl (13.21) ... Setting up libbrotli1:amd64 (1.1.0-2+b6) ... Setting up libedit2:amd64 (3.1-20240808-1) ... Setting up libmagic1t64:amd64 (1:5.45-3+b1) ... Setting up libibumad3:amd64 (52.0-2+b1) ... Setting up fonts-freefont-ttf (20211204+svn4273-2) ... Setting up gettext-base (0.22.5-3) ... Setting up m4 (1.4.19-4) ... Setting up libxcb-shm0:amd64 (1.17.0-2+b1) ... Setting up libibmad5:amd64 (52.0-2+b1) ... Setting up libcom-err2:amd64 (1.47.2~rc1-2) ... Setting up file (1:5.45-3+b1) ... Setting up rdkit-data (202409.2-2) ... Setting up libelf1t64:amd64 (0.192-4) ... Setting up libkrb5support0:amd64 (1.21.3-3) ... Setting up libmaeparser1:amd64 (1.3.1-1+b2) ... Setting up tzdata (2024b-4) ... Current default time zone: 'Etc/UTC' Local time is now: Mon Jan 19 08:45:20 UTC 2026. Universal Time is now: Mon Jan 19 08:45:20 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libboost-serialization1.83.0:amd64 (1.83.0-4) ... Setting up libboost-numpy1.83.0 (1.83.0-4) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:amd64 (4.13.3-1) ... Setting up libblas3:amd64 (3.12.0-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libmunge2:amd64 (0.5.15-4+b1) ... Setting up libexpat1-dev:amd64 (2.6.4-1) ... Setting up libx11-data (2:1.8.10-2) ... Setting up libpng16-16t64:amd64 (1.6.44-3) ... Setting up libhwloc15:amd64 (2.11.2-1) ... Setting up autopoint (0.22.5-3) ... Setting up libipc-run-perl (20231003.0-2) ... Setting up libk5crypto3:amd64 (1.21.3-3) ... Setting up libfftw3-double3:amd64 (3.3.10-2+b1) ... Setting up libgfortran5:amd64 (14.2.0-8) ... Setting up libtime-duration-perl (1.21-2) ... Setting up autoconf (2.72-3) ... Setting up libtimedate-perl (2.3300-2) ... Setting up zlib1g-dev:amd64 (1:1.3.dfsg+really1.3.1-1+b1) ... Setting up libnuma1:amd64 (2.0.18-1+b1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1+b2) ... Setting up libuchardet0:amd64 (0.0.8-1+b2) ... Setting up sse4.2-support (26) ... Setting up libnl-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libpsm2-2 (11.2.185-2.1) ... Setting up libx11-6:amd64 (2:1.8.10-2) ... Setting up netbase (6.4) ... Setting up libkrb5-3:amd64 (1.21.3-3) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6.3) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libmuparser2v5:amd64 (2.3.4-1+b1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libcoordgen3:amd64 (3.0.2-1+b2) ... Setting up libinchi1.07 (1.07.1+dfsg-6) ... Setting up libopenmm8.1 (8.1.2+dfsg-1+b1) ... Setting up libdrm-common (2.4.123-1) ... Setting up readline-common (8.2-6) ... Setting up libxml2:amd64 (2.12.7+dfsg+really2.9.14-0.2+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up libfile-stripnondeterminism-perl (1.14.0-1) ... Setting up gromacs-data (2024.4-1) ... Setting up liblapack3:amd64 (3.12.0-4) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up gettext (0.22.5-3) ... Setting up moreutils (0.69-1) ... Setting up libxrender1:amd64 (1:0.9.10-1.1+b3) ... Setting up libtool (2.4.7-8) ... Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10+b1) ... Setting up fontconfig-config (2.15.0-1.1+b1) ... Setting up libxext6:amd64 (2:1.3.4-1+b2) ... Setting up libopenmm-dev (8.1.2+dfsg-1+b1) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3+b1) ... Setting up libxnvctrl0:amd64 (535.171.04-1+b1) ... Setting up dh-autoreconf (20) ... Setting up libllvm17t64:amd64 (1:17.0.6-18) ... Setting up libfreetype6:amd64 (2.13.3+dfsg-1) ... Setting up libgssapi-krb5-2:amd64 (1.21.3-3) ... Setting up libjs-sphinxdoc (8.1.3-2) ... Setting up libopenmm-plugins (8.1.2+dfsg-1+b1) ... Setting up libreadline8t64:amd64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up libdrm2:amd64 (2.4.123-1) ... Setting up groff-base (1.23.0-6) ... Setting up libxslt1.1:amd64 (1.1.35-1.1+b1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libfontconfig1:amd64 (2.15.0-1.1+b1) ... Setting up libdrm-amdgpu1:amd64 (2.4.123-1) ... Setting up libibverbs1:amd64 (52.0-2+b1) ... Setting up libtirpc3t64:amd64 (1.3.4+ds-1.3+b1) ... Setting up ibverbs-providers:amd64 (52.0-2+b1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libhwloc-plugins:amd64 (2.11.2-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up libcairo2:amd64 (1.18.2-2) ... Setting up libpmix2t64:amd64 (5.0.4-1) ... Setting up libnsl2:amd64 (1.3.0-3+b3) ... Setting up librdmacm1t64:amd64 (52.0-2+b1) ... Setting up libhsakmt1:amd64 (6.1.2+ds-1) ... Setting up libfabric1:amd64 (1.17.0-3.1) ... Setting up libpython3.12-stdlib:amd64 (3.12.8-3) ... Setting up librdkit1t64 (202409.2-2) ... Setting up python3.12 (3.12.8-3) ... Setting up debhelper (13.21) ... Setting up libpython3.12t64:amd64 (3.12.8-3) ... Setting up libhsa-runtime64-1:amd64 (6.1.2-2) ... Setting up libpython3-stdlib:amd64 (3.12.7-1) ... Setting up python3 (3.12.7-1) ... Setting up libpython3.12-dev:amd64 (3.12.8-3) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-tz (2024.1-2) ... Setting up python3-packaging (24.2-1) ... Setting up libamdhip64-5 (5.7.1-5) ... Setting up python3.12-dev (3.12.8-3) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-pluggy (1.5.0-1) ... Setting up python3-lxml:amd64 (5.3.0-1+b1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-versioneer (0.29-1) ... Setting up python3-more-itertools (10.5.0-1) ... Setting up python3-iniconfig (1.1.1-2) ... Setting up libucx0:amd64 (1.17.0+ds-3) ... Setting up libpython3-dev:amd64 (3.12.7-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-pytest (8.3.4-1) ... Setting up python3-typeguard (4.4.1-1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.12.7-1) ... Setting up python3-pkg-resources (75.2.0-1) ... Setting up libopenmpi40:amd64 (5.0.6-3) ... Setting up python3-setuptools (75.2.0-1) ... Setting up libgromacs9:amd64 (2024.4-1+b1) ... Setting up python3-networkx (3.2.1-5) ... Setting up gromacs (2024.4-1+b1) ... Setting up python3-numpy (1:1.26.4+ds-12) ... Setting up python3-openmm (8.1.2+dfsg-1+b1) ... /usr/lib/python3/dist-packages/openmm/__init__.py:16: SyntaxWarning: invalid escape sequence '\p' os.environ['PATH'] = '%(lib)s;%(lib)s\plugins;%(path)s' % { /usr/lib/python3/dist-packages/openmm/app/gromacsgrofile.py:62: SyntaxWarning: invalid escape sequence '\.' return match('^[-+]?[0-9]*\.?[0-9]*([eEdD][-+]?[0-9]+)?$',word) /usr/lib/python3/dist-packages/openmm/app/internal/amber_file_parser.py:65: SyntaxWarning: invalid escape sequence '\(' FORMAT_RE_PATTERN=re.compile("([0-9]+)\(?([a-zA-Z]+)([0-9]+)\.?([0-9]*)\)?") /usr/lib/python3/dist-packages/openmm/app/internal/pdbstructure.py:1071: SyntaxWarning: invalid escape sequence '\.' if not re.match("pdb.%2s.\.ent\.gz" % subdir , pdb_file): /usr/lib/python3/dist-packages/openmm/app/internal/pdbstructure.py:1082: SyntaxWarning: invalid escape sequence '\.' if not re.match("pdb.%2s.\.ent\.gz" % subdir , pdb_file): /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:358: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:360: SyntaxWarning: invalid escape sequence '\s' "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:361: SyntaxWarning: invalid escape sequence '\s' "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:363: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:365: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:416: SyntaxWarning: invalid escape sequence '\S' """ Tokenizer method for the mmCIF syntax file - /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:444: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:446: SyntaxWarning: invalid escape sequence '\s' "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:448: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py:450: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:347: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:349: SyntaxWarning: invalid escape sequence '\s' "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:350: SyntaxWarning: invalid escape sequence '\s' "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:352: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:354: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:419: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:421: SyntaxWarning: invalid escape sequence '\s' "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:423: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) /usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py:425: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words /usr/lib/python3/dist-packages/openmm/app/metadynamics.py:247: SyntaxWarning: invalid escape sequence '\.' pattern = re.compile('bias_(.*)_(.*)\.npy') /usr/lib/python3/dist-packages/openmm/openmm.py:1556: SyntaxWarning: invalid escape sequence '\S' match = re.search("<([^?]\S*)", inputString) Setting up dh-python (6.20241024) ... Setting up python3-pandas-lib:amd64 (2.2.3+dfsg-5+b1) ... Setting up python3-pandas (2.2.3+dfsg-5) ... Setting up python3-rdkit (202409.2-2) ... Processing triggers for libc-bin (2.40-4) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/parmed-4.3.0+dfsg/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../parmed_4.3.0+dfsg-2_source.changes dpkg-buildpackage: info: source package parmed dpkg-buildpackage: info: source version 4.3.0+dfsg-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Andrius Merkys dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean --buildsystem pybuild --with python3 dh_auto_clean -O--buildsystem=pybuild I: pybuild base:311: python3.12 setup.py clean running clean removing '/build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build' (and everything under it) 'build/bdist.linux-x86_64' does not exist -- can't clean it 'build/scripts-3.12' does not exist -- can't clean it debian/rules execute_after_dh_auto_clean make[1]: Entering directory '/build/reproducible-path/parmed-4.3.0+dfsg' rm -rf ParmEd.egg-info make[1]: Leaving directory '/build/reproducible-path/parmed-4.3.0+dfsg' dh_autoreconf_clean -O--buildsystem=pybuild dh_clean -O--buildsystem=pybuild debian/rules binary dh binary --buildsystem pybuild --with python3 dh_update_autotools_config -O--buildsystem=pybuild dh_autoreconf -O--buildsystem=pybuild dh_auto_configure -O--buildsystem=pybuild I: pybuild base:311: python3.12 setup.py config running config dh_auto_build -O--buildsystem=pybuild I: pybuild base:311: /usr/bin/python3 setup.py build running build running build_py creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/residue.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/scripts.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/vec3.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/symmetry.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/periodic_table.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/_version.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/geometry.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/constants.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/topologyobjects.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/exceptions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/structure.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/amberformat.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/_amberparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/offlib.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/readparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/netcdffiles.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/_chamberparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/asciicrd.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/_tinkerparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/mask.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/titratable_residues.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller copying parmed/modeller/residue.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller copying parmed/modeller/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller copying parmed/modeller/standardtemplates.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/system.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/parameterfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/tinkerfiles.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/topologyobjects.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/basedimension.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit_math.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/mymatrix.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit_definitions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/prefix.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/baseunit.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/constants.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit_operators.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/quantity.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/standard_dimensions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/gbnsr6.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/cntrl.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/ewald.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/rism.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/mdin.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/typing.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/pb.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/qmmm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/_charmmfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/psf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/charmmcrds.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/PdbxReader.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/PdbxWriter.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/PdbxContainers.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta copying parmed/rosetta/pose.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta copying parmed/rosetta/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit copying parmed/rdkit/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit copying parmed/rdkit/rdkit.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit copying parmed/formats/sdf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/pqr.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/mol2.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/psf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/registry.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/pdb.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/config.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_exceptions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_edit_descriptors.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_lexer.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_misc.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_output.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_input.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/FortranRecordReader.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_parser.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/FortranRecordWriter.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/xmlfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/reporters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/utils.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/topsystem.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/utils/pandautils.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/io.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/decorators.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/pairlist.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/netcdf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/timer.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/gromacstop.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/_cpp.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/gromacsgro.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/_gromacsfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/argumentlist.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/parmed_cmd.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/addljtype.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/checkvalidity.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/add1264.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/actions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/logos.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/exceptions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/changeradii.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/parmlist.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd copying parmed/namd/namdbinfiles.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd copying parmed/namd/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations copying parmed/tools/simulations/openmm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations copying parmed/tools/simulations/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations copying parmed/tools/simulations/sanderapi.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos copying parmed/entos/converters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos copying parmed/entos/imports.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos copying parmed/entos/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly copying parmed/dlpoly/dlpolyfield.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly copying parmed/dlpoly/dlpolyconfig.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly copying parmed/dlpoly/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly creating /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data copying parmed/modeller/data/standard_residues.lib -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data copying parmed/modeller/data/ccd_residue_templates.json -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data copying parmed/modeller/data/nonstandard_ccd_residue_templates.json.gz -> /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data UPDATING /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.3.0' running build_ext building 'parmed.amber._rdparm' extension creating build/temp.linux-x86_64-cpython-312/src x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.3.0+dfsg/src -I/usr/include/python3.12 -c src/_rdparm.cpp -o build/temp.linux-x86_64-cpython-312/src/_rdparm.o x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.3.0+dfsg/src -I/usr/include/python3.12 -c src/readparm.cpp -o build/temp.linux-x86_64-cpython-312/src/readparm.o x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-cpython-312/src/_rdparm.o build/temp.linux-x86_64-cpython-312/src/readparm.o -L/usr/lib/x86_64-linux-gnu -o /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_rdparm.cpython-312-x86_64-linux-gnu.so UPDATING /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.3.0' dh_auto_test -O--buildsystem=pybuild I: pybuild base:311: cd /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build; python3.12 -m pytest -k 'not test_download' ============================= test session starts ============================== platform linux -- Python 3.12.8, pytest-8.3.4, pluggy-1.5.0 rootdir: /build/reproducible-path/parmed-4.3.0+dfsg plugins: typeguard-4.4.1 collected 917 items / 19 deselected / 898 selected test/test_format_conversions.py .....s..sss.s... [ 1%] test/test_openmm_amber.py .......s..............s..sss.............. [ 6%] test/test_openmm_amber_forces.py ss.s [ 6%] test/test_openmm_charmm.py ...........x [ 8%] test/test_openmm_gromacs.py .ss.s.ss.. [ 9%] test/test_openmm_reporters.py ....s [ 9%] test/test_parmed_amber.py ....................................s..s.ss... [ 15%] s............................................. [ 20%] test/test_parmed_charmm.py ...................................... [ 24%] test/test_parmed_cif.py ......... [ 25%] test/test_parmed_dlpoly.py ... [ 25%] test/test_parmed_entos.py ssss [ 26%] test/test_parmed_formats.py ............................................ [ 31%] ..........s.....s............................................. [ 37%] test/test_parmed_genopen.py ...ss.ss.s.s... [ 39%] test/test_parmed_geometry.py ...... [ 40%] test/test_parmed_gromacs.py ............................................ [ 45%] .......... [ 46%] test/test_parmed_gromacs_cpp.py ...................... [ 48%] test/test_parmed_misc.py . [ 48%] test/test_parmed_modeller.py ......................................ss... [ 53%] ..... [ 54%] test/test_parmed_namd.py .. [ 54%] test/test_parmed_netcdf.py ... [ 54%] test/test_parmed_openmm.py ..............sssssss...... [ 57%] test/test_parmed_pandas.py ....... [ 58%] test/test_parmed_parameterset.py .... [ 59%] test/test_parmed_rdkit.py .... [ 59%] test/test_parmed_residue.py ............. [ 60%] test/test_parmed_rosetta.py sss [ 61%] test/test_parmed_serialization.py ................. [ 63%] test/test_parmed_structure.py .......................................... [ 67%] ....s. [ 68%] test/test_parmed_structure_slicing.py ........................ [ 71%] test/test_parmed_tinker.py s... [ 71%] test/test_parmed_topologyobjects.py ................................. [ 75%] test/test_parmed_unit.py ............................................... [ 80%] ....... [ 81%] test/test_parmedtools_actions.py ................................ss..ss. [ 85%] ...............Using parm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.1 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.2 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.3 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.4 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.5 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.6 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.7 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.8 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.9 Printing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.10 ......................................................... [ 93%] ..................................x.......... [ 98%] test/test_parmedtools_parmlist.py ..... [ 99%] test/test_vec3.py ....... [100%] =============================== warnings summary =============================== parmed/charmm/parameters.py:894: 1 warning .pybuild/cpython3_3.12_parmed/build/test/test_openmm_charmm.py: 1 warning .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py: 1 warning .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py: 4 warnings .pybuild/cpython3_3.12_parmed/build/test/test_parmed_structure.py: 1 warning .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py: 5 warnings /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/parameters.py:894: ParameterWarning: WARNING: Ignoring "DELETE ACCE NE2" because entity type ACCE not used. warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_format_conversions.py::TestGromacsToAmber::test_energy_complicated .pybuild/cpython3_3.12_parmed/build/test/test_openmm_gromacs.py::TestGromacsTop::test_dppc .pybuild/cpython3_3.12_parmed/build/test/test_openmm_gromacs.py::TestGromacsTop::test_round_trip .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTop::test_duplicate_system_names .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTop::test_molecule_combine .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTop::test_molecule_ordering /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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! warnings.warn('%i 1-4 pairs were missing from the [ pairs ] ' .pybuild/cpython3_3.12_parmed/build/test/test_openmm_gromacs.py::TestGromacsTop::test_round_trip /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/topsystem.py:203: OpenMMWarning: Unsupported Force type CustomNonbondedForce warnings.warn(f'Unsupported Force type {force.__class__.__name__}', OpenMMWarning) .pybuild/cpython3_3.12_parmed/build/test/test_openmm_reporters.py::TestTrajRestartReporter::test_reporters .pybuild/cpython3_3.12_parmed/build/test/test_parmed_netcdf.py::TestNetCDF::testBadNetCDFFiles .pybuild/cpython3_3.12_parmed/build/test/test_parmed_netcdf.py::TestNetCDF::testNetCDF .pybuild/cpython3_3.12_parmed/build/test/test_parmed_netcdf.py::TestNetCDF::testRemdFiles .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_openmm_action .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_write_coordinates /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn('Could not find netCDF4 module. Falling back on ' .pybuild/cpython3_3.12_parmed/build/test/test_openmm_reporters.py::TestTrajRestartReporter::test_reporters .pybuild/cpython3_3.12_parmed/build/test/test_parmed_netcdf.py::TestNetCDF::testNetCDF .pybuild/cpython3_3.12_parmed/build/test/test_parmed_netcdf.py::TestNetCDF::testRemdFiles .pybuild/cpython3_3.12_parmed/build/test/test_parmed_structure.py::TestStructureSave::test_save_ncrst7 .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_parmout_outparm_load_restrt .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_write_coordinates /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn('Could not find netCDF4 module. Falling back on ' .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestReadParm::test_amber_parm_from_structure /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn('Periodicity of 0 detected with non-zero force constant. Changing ' .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (13741376); expected 1376 for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -10, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -25, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -35, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -50, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -55, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -65, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -70, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -85, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -95, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -870, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -875, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -880, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -885, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -890, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -895, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -905, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -910, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -915, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -920, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -925, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -930, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -935, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -940, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -945, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -950, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -955, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -960, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -965, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -970, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -975, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -980, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -985, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -990, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -995, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1000, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1005, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1010, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1015, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1020, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1025, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1030, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1035, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1040, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1045, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1050, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1055, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1060, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1065, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1070, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1075, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1085, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1090, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1095, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1870, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1875, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1880, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1885, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1890, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1895, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1900, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1905, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1910, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1915, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1920, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1925, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1930, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1935, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1940, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1945, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1950, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1955, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1960, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1965, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1970, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1975, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1980, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1985, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1990, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1995, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2000, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2005, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2010, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2015, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2020, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2025, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2030, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2035, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2040, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2045, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2050, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2055, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2060, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2065, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2070, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2075, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2080, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2085, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2090, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2095, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2870, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2875, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2880, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2885, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2890, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2895, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2900, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2905, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2910, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2915, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2920, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2925, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2930, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2935, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2940, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2945, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2950, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2955, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2960, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2965, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2970, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2975, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2980, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2985, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2990, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2995, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3000, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3005, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3010, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3015, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3020, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3025, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3030, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3035, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3040, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3045, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3050, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3055, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3060, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3065, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3070, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3075, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3080, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3085, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3090, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3095, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3870, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3875, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3880, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3885, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3890, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3895, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3900, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3905, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3910, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3915, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3920, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3925, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3930, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3935, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3940, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3945, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3950, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3955, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3960, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3965, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3970, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3975, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3980, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3985, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3990, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3995, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4000, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4005, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4010, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4015, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4020, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4025, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4030, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4035, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4040, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4045, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4050, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4055, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4060, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4065, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4070, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4075, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4080, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4085, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4090, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4095, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4870, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4875, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4880, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4885, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4890, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4895, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4900, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4905, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4910, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4915, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4920, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4925, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4930, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4935, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4940, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4945, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4950, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4955, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4960, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4965, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4970, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4975, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4980, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4985, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4990, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4995, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5000, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5005, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5010, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5015, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5020, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5025, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5030, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5035, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5040, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5045, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5050, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5055, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5060, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5065, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5070, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5075, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5080, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5085, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5090, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5095, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5870, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5875, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5880, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5885, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5890, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5895, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5900, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5905, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5910, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5915, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5920, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5925, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5930, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5935, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5940, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5945, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5950, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5955, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5960, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5965, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5970, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5975, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5980, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5985, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5990, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5995, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6000, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6005, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6010, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6015, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6020, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6025, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6030, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6035, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6040, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6045, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6050, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6055, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6060, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6065, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6070, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6075, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6080, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6085, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6090, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6095, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6100, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6105, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6110, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6115, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6120, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6125, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6130, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6135, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6140, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6145, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6150, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6155, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6160, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6165, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6170, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6175, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6180, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6185, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6190, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6195, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6200, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6205, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6210, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6215, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6220, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6225, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6230, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6235, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6240, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6245, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6250, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6255, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6260, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6265, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6270, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6275, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6280, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6285, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6290, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6295, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6300, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6305, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6310, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6315, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6320, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6325, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6330, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6335, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6340, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6345, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6350, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6355, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6360, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6365, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6370, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6375, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6380, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6385, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6390, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6395, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6400, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6405, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6410, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6415, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6420, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6425, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6430, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6435, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6440, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6445, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6450, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6455, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6460, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6465, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6470, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6475, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6480, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6485, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6490, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6495, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6500, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6505, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6510, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6515, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6520, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6525, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6530, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6535, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6540, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6545, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6550, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6555, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6560, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6565, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6570, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6575, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6580, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6585, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6590, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6595, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6600, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6605, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6610, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6615, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6620, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6625, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6630, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6635, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6640, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6645, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6650, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6655, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6660, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6665, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6670, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6675, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6680, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6685, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6690, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6695, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6700, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6705, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6710, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6715, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6720, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6725, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6730, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6735, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6740, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6745, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6750, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6755, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6760, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6765, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6770, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6775, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6780, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6785, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6790, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6795, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6800, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6805, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6810, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6815, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6820, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6825, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6830, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6835, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6840, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6845, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6850, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6855, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6860, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6865, not 5 atoms for residue CHCL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (1240126); expected 126 for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (MEOHBOX). Ignored... warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -654, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -666, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -678, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -690, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -702, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -714, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -726, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -738, not 6 atoms for residue MEOHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (1240126); expected 126 for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (NMABOX). Ignored... warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -864, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -876, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -888, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -912, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -924, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -936, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -948, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -960, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -972, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -984, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -996, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1008, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1020, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1032, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1044, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1056, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1068, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1092, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1104, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1116, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1128, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1140, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1152, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1164, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1176, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1188, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1200, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1212, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1224, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1236, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1248, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1272, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1284, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1296, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1308, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1320, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1332, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1344, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1356, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1368, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1380, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1392, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1404, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1416, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1428, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1452, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1464, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1476, not 12 atoms for residue NMABOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (OPCBOX). Ignored... warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -8, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -16, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -28, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -32, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -44, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -52, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -56, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -64, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -68, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -76, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -88, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -92, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -104, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -112, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -116, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -124, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -128, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -136, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -148, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -152, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -164, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -172, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -176, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -184, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -188, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -196, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -208, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -212, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -224, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -232, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -236, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -244, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -248, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -256, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -268, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -272, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -284, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -292, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -296, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -304, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -308, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -316, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -328, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -332, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -344, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -352, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -356, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -364, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -368, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -376, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -388, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -392, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -404, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -412, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -416, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -424, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -428, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -436, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -448, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -452, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -464, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -472, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -476, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -484, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -488, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -496, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -508, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -512, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -524, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -532, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -536, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -544, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -548, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -556, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -568, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -572, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -584, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -592, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -596, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -604, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -608, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -616, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -628, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -632, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -644, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -652, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -656, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -664, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -668, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -676, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -688, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -692, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -704, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -712, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -716, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -724, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -728, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -736, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -748, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -752, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -764, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -772, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -776, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -784, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -788, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -796, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -808, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -812, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -824, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -832, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -836, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -844, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -848, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -856, not 4 atoms for residue OPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (POL3BOX). Ignored... warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue POL3BOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue QSPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue SPCBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue SPCFWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue TIP3PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -3, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -6, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -9, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -21, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -27, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -33, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -39, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -42, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -51, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -57, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -63, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -66, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -69, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -78, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -81, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -87, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -93, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -99, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -102, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -111, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -114, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -117, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -123, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -129, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -138, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -141, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -147, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -153, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -159, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -171, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -174, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -177, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -183, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -186, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -189, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -201, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -207, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -213, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -219, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -222, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -231, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -237, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -243, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -246, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -249, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -258, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -261, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -267, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -273, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -279, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -282, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -291, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -294, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -297, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -303, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -309, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -318, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -321, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -327, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -333, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -339, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -351, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -354, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -357, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -363, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -366, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -369, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -381, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -387, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -393, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -399, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -402, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -411, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -417, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -423, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -426, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -429, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -438, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -441, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -447, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -453, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -459, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -462, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -471, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -474, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -477, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -483, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -489, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -498, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -501, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -507, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -513, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -519, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -531, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -534, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -537, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -543, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -546, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -549, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -561, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -567, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -573, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -579, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -582, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -591, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -597, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -603, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -606, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -609, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -618, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -621, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -627, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -633, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -639, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -642, not 3 atoms for residue TIP3PFBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (TIP4PBOX). Ignored... warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -8, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -16, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -28, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -32, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -44, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -52, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -56, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -64, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -68, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -76, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -88, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -92, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -104, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -112, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -116, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -124, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -128, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -136, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -148, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -152, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -164, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -172, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -176, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -184, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -188, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -196, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -208, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -212, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -224, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -232, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -236, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -244, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -248, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -256, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -268, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -272, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -284, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -292, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -296, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -304, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -308, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -316, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -328, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -332, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -344, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -352, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -356, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -364, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -368, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -376, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -388, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -392, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -404, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -412, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -416, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -424, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -428, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -436, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -448, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -452, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -464, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -472, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -476, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -484, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -488, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -496, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -508, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -512, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -524, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -532, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -536, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -544, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -548, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -556, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -568, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -572, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -584, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -592, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -596, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -604, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -608, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -616, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -628, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -632, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -644, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -652, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -656, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -664, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -668, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -676, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -688, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -692, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -704, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -712, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -716, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -724, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -728, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -736, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -748, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -752, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -764, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -772, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -776, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -784, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -788, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -796, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -808, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -812, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -824, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -832, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -836, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -844, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -848, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -856, not 4 atoms for residue TIP4PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:241: AmberWarning: Unexpected childsequence (2150217); expected 217 for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:270: AmberWarning: TAIL on multi-residue unit not supported (TIP4PEWBOX). Ignored... warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -4, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -8, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -12, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -16, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -24, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -28, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -32, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -44, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -48, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -52, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -56, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -64, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -68, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -76, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -84, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -88, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -92, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -96, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -104, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -112, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -116, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -124, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -128, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -132, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -136, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -148, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -152, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -156, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -164, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -168, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -172, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -176, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -184, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -188, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -192, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -196, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -204, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -208, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -212, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -224, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -228, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -232, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -236, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -244, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -248, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -256, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -264, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -268, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -272, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -276, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -284, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -292, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -296, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -304, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -308, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -312, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -316, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -328, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -332, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -336, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -344, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -348, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -352, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -356, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -364, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -368, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -372, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -376, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -384, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -388, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -392, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -404, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -408, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -412, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -416, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -424, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -428, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -436, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -444, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -448, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -452, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -456, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -464, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -472, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -476, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -484, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -488, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -492, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -496, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -508, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -512, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -516, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -524, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -528, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -532, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -536, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -544, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -548, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -552, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -556, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -564, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -568, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -572, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -584, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -588, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -592, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -596, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -604, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -608, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -616, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -624, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -628, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -632, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -636, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -644, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -652, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -656, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -664, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -668, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -672, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -676, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -688, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -692, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -696, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -704, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -708, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -712, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -716, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -724, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -728, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -732, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -736, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -744, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -748, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -752, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -764, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -768, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -772, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -776, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -784, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -788, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -796, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -804, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -808, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -812, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -816, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -824, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -832, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -836, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -844, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -848, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -852, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -856, not 4 atoms for residue TIP4PEWBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -5, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -10, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -15, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -20, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -25, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -30, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -35, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -40, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -45, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -50, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -55, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -60, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -65, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -70, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -75, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -80, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -85, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -95, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -100, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -105, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -110, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -115, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -120, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -125, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -130, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -135, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -140, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -145, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -150, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -155, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -160, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -165, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -170, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -175, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -185, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -190, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -195, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -200, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -205, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -210, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -215, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -220, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -225, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -230, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -235, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -240, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -245, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -250, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -255, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -260, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -265, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -275, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -280, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -285, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -290, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -295, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -300, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -305, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -310, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -315, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -320, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -325, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -330, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -335, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -340, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -345, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -350, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -355, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -365, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -370, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -375, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -380, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -385, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -390, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -395, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -400, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -405, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -410, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -415, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -420, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -425, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -430, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -435, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -440, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -445, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -455, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -460, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -465, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -470, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -475, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -480, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -485, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -490, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -495, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -500, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -505, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -510, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -515, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -520, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -525, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -530, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -535, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -545, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -550, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -555, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -560, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -565, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -570, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -575, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -580, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -585, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -590, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -595, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -600, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -605, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -610, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -615, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -620, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -625, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -635, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -640, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -645, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -650, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -655, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -660, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -665, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -670, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -675, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -680, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -685, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -690, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -695, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -700, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -705, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -710, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -715, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -725, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -730, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -735, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -740, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -745, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -750, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -755, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -760, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -765, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -770, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -775, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -780, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -785, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -790, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -795, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -800, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -805, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -810, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -815, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -820, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -825, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -830, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -835, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -840, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -845, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -850, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -855, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -860, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -865, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -870, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -875, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -880, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -885, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -890, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -895, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -905, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -910, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -915, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -920, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -925, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -930, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -935, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -940, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -945, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -950, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -955, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -960, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -965, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -970, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -975, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -980, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -985, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -990, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -995, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1000, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1005, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1010, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1015, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1020, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1025, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1030, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1035, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1040, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1045, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1050, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1055, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1060, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1065, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1070, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1075, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1085, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1090, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1095, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1100, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1105, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1110, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1115, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1120, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1125, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1130, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1135, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1140, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1145, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1150, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1155, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1160, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1165, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1170, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1175, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1180, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1185, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1190, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1195, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1200, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1205, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1210, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1215, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1220, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1225, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1230, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1235, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1240, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1245, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1250, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1255, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1265, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1270, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1275, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1280, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1285, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1290, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1295, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1300, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1305, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1310, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1315, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1320, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1325, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1330, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1335, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1340, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1345, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1350, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1355, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1360, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1365, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1370, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1375, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1380, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1385, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1390, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1395, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1400, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1405, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1410, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1415, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1420, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1425, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1430, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1435, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1445, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1450, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1455, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1460, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1465, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1470, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1475, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1480, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1485, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1490, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1495, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1500, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1505, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1510, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1515, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1520, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1525, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1530, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1535, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1540, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1545, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1550, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1555, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1560, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1565, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1570, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1575, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1580, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1585, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1590, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1595, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1600, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1605, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1610, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1615, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1620, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1625, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1630, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1635, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1640, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1645, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1650, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1655, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1660, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1665, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1670, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1675, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1680, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1685, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1690, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1695, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_solvents .pybuild/cpython3_3.12_parmed/build/test/test_parmed_modeller.py::TestAmberOFFLibrary::test_read_write_solvent_lib /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1700, not 5 atoms for residue TIP5PBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted 0, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -18, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -36, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -54, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -72, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -90, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -108, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -126, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -144, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -162, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -180, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -198, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -216, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -234, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -252, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -270, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -288, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -306, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -324, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -342, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -360, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -378, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -396, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -414, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -432, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -450, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -468, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -486, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -504, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -522, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -540, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -558, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -576, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -594, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -612, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -630, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -648, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -666, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -684, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -702, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -720, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -738, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -756, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -774, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -792, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -810, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -828, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -846, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -864, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -882, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -900, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -918, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -936, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -954, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -972, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -990, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1008, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1026, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1044, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1062, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1080, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1098, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1116, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1134, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1152, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1170, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1188, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1206, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1224, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1242, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1260, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1278, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1296, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1314, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1332, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1350, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1368, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1386, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1404, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1422, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1440, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1458, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1476, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1494, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1512, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1530, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1548, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1566, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1584, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1602, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1620, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1638, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1656, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1674, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1692, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1710, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1728, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1746, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1764, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1782, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1800, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1818, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1836, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1854, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1872, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1890, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1908, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1926, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1944, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1962, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1980, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -1998, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2016, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2034, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2052, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2070, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2088, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2106, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2124, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2142, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2160, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2178, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2196, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_lib_with_box /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py:372: AmberWarning: residue table predicted -2214, not 18 atoms for residue CYCHBOX warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_load_leaprc_with_mol2 /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:333: AmberWarning: Multi-residue mol2 files not supported by tleap. Loading anyway using names in mol2 warnings.warn('Multi-residue mol2 files not supported by tleap. Loading anyway ' .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_dat_bad_equivalencing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:579: AmberWarning: C and CA expected to be equal but are not warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_dat_bad_equivalencing /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:579: AmberWarning: C and CM expected to be equal but are not warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('N', 'CX', 'C', 'ND'), got dihedral ('ND', 'CX', 'C', 'N') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('ND', 'CX', 'C', 'N'), got dihedral ('ND', 'CX', 'C', 'ND') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('ND', 'CX', 'C', 'ND'), got dihedral ('N', 'CX', 'C', 'ND') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('OH', 'CT', 'CT', 'OA'), got dihedral ('OA', 'CT', 'CT', 'OA') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('OA', 'CT', 'CT', 'OA'), got dihedral ('OH', 'CT', 'CT', 'OA') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('N', 'CX', 'C', 'TN'), got dihedral ('TN', 'CX', 'C', 'N') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('TN', 'CX', 'C', 'N'), got dihedral ('TN', 'CX', 'C', 'TN') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('TN', 'CX', 'C', 'TN'), got dihedral ('N', 'CX', 'C', 'TN') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('TN', 'CX', 'C', 'ND'), got dihedral ('ND', 'CX', 'C', 'TN') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('ND', 'CX', 'C', 'TN'), got dihedral ('TN', 'CX', 'C', 'ND') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('N', 'TG', 'C', 'ND'), got dihedral ('ND', 'TG', 'C', 'N') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('ND', 'TG', 'C', 'N'), got dihedral ('ND', 'TG', 'C', 'ND') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('ND', 'TG', 'C', 'ND'), got dihedral ('N', 'TG', 'C', 'ND') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('N', 'TG', 'C', 'TN'), got dihedral ('TN', 'TG', 'C', 'N') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('TN', 'TG', 'C', 'N'), got dihedral ('TN', 'TG', 'C', 'TN') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('TN', 'TG', 'C', 'TN'), got dihedral ('N', 'TG', 'C', 'TN') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('TN', 'TG', 'C', 'ND'), got dihedral ('ND', 'TG', 'C', 'TN') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_amber.py::TestParameterFiles::test_parm_parsing_ljedit /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:679: ParameterWarning: Expecting next term in dihedral ('ND', 'TG', 'C', 'TN'), got dihedral ('TN', 'TG', 'C', 'ND') warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn('Problem parsing anisotropic factors from ANISOU record from: ' + line, .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestPDBStructure::test_anisou_error_handling /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/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 warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestPDBStructure::test_pdb_with_models /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdb.py:757: PDBWarning: MODEL 2 begun before last model ended. Assuming it is ending warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestPDBStructure::test_pdb_with_models /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdb.py:757: PDBWarning: MODEL 3 begun before last model ended. Assuming it is ending warnings.warn( .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestParmedPQRStructure::test_pqr_parsing_with_models /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pqr.py:192: PDBWarning: MODEL not explicitly ended warnings.warn('MODEL not explicitly ended', PDBWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmed_formats.py::TestCIFStructure::test_parse_cif_element_determination .pybuild/cpython3_3.12_parmed/build/test/test_parmed_structure_slicing.py::TestStructureSlicing::test_structure_box_and_space_group_and_symmetry /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdb.py:1533: PDBWarning: Problem processing anisotropic B-factors. Skipping warnings.warn('Problem processing anisotropic B-factors. Skipping', PDBWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTop::test_bad_top_loads /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:443: GromacsWarning: Unsupported nonbonded type; unknown functional warnings.warn('Unsupported nonbonded type; unknown functional', .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTop::test_top_parsing_missing_types /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:602: GromacsWarning: bond funct != 1; unknown functional warnings.warn('bond funct != 1; unknown functional', .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_angles /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:650: GromacsWarning: angles funct != 1 or 5; unknown functional warnings.warn('angles funct != 1 or 5; unknown ' .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_angletypes /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:884: GromacsWarning: angletypes funct != 1 or 5; unknown functional warnings.warn('angletypes funct != 1 or 5; unknown functional', .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_bondtypes /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:871: GromacsWarning: bondtypes funct != 1; unknown functional warnings.warn('bondtypes funct != 1; unknown functional', .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_cmaps /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:741: GromacsWarning: cmap funct != 1; unknown functional warnings.warn('cmap funct != 1; unknown functional', .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_dihedraltypes /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:922: GromacsWarning: dihedraltypes funct not supported warnings.warn('dihedraltypes funct not supported', GromacsWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs.py::TestGromacsTopHelperFunctions::test_parse_pairs /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py:627: GromacsWarning: pairs funct != 1; unknown functional warnings.warn('pairs funct != 1; unknown functional', .pybuild/cpython3_3.12_parmed/build/test/test_parmed_gromacs_cpp.py::TestGromacsCpp::test_define /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/_cpp.py:301: PreProcessorWarning: MYVAR already defined; overwriting warnings.warn(f'{words[0]} already defined; overwriting', PreProcessorWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm 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Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_duplicate_patch_removal .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:251: UserWarning: 8 patches discarded, 23 retained warnings.warn(f'{len(discarded_patches)} patches discarded, {len(new_params.patches)} retained') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_explicit_improper .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_ljforce_charmm .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_charmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:247: UserWarning: Patch discarded because OpenMM considers it identical to warnings.warn(f'Patch {patch} discarded because OpenMM considers it identical to {patch_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:251: UserWarning: 18 patches discarded, 91 retained warnings.warn(f'{len(discarded_patches)} patches discarded, {len(new_params.patches)} retained') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:496: UserWarning: Compressing improper because it contains same atoms as warnings.warn(f'Compressing improper {improper} because it contains same atoms as {improper_types[atoms2]}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmed_openmm.py::TestWriteCHARMMParameters::test_write_xml_parameters_methanol_ions_energy /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py:688: UserWarning: Skipping writing of residue because OpenMM considers it identical to warnings.warn(f'Skipping writing of residue {residue} because OpenMM considers it identical to {residue_collision}') .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestNonParmActions::test_chamber_model /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/parameters.py:835: ParameterWarning: Replacing residue ALAD warnings.warn(f'Replacing residue {resname}', ParameterWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_change /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/actions.py:729: ParmWarning: Only 4 letters allowed for ATOM_NAME entries! Truncating remaining letters. warnings.warn(f'Only 4 letters allowed for {prop} entries! Truncating remaining letters.', .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_energy_openmm /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py:901: SimulationWarning: The CPU platform only uses single precision warnings.warn('The CPU platform only uses single precision', SimulationWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_openmm_action /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py:193: SimulationWarning: ntwr is set quite low (2). Consider much larger values to improve computational performance. warnings.warn('ntwr is set quite low (%d). Consider much larger values ' .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_openmm_action /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py:481: SimulationWarning: The CPU platform only uses single precision warnings.warn('The CPU platform only uses single precision', SimulationWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmberParmActions::test_set_molecules .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmoebaParmActions::test_delete_bond /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_amberparm.py:742: AmberWarning: Molecule atoms are not contiguous! Attempting to reorder to fix. warn('Molecule atoms are not contiguous! Attempting to reorder to fix.', AmberWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmoebaParmActions::test_change /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/actions.py:768: ParmWarning: change MASS: @NOTHING matches no atoms warnings.warn(f'change {self.prop}: {self.mask} matches no atoms', ParmWarning) .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestAmoebaParmActions::test_delete_bond /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_amberparm.py:748: AmberWarning: Residues cannot be part of 2 molecules! Molecule section will not be correctly set. [Offending residue is warn('Residues cannot be part of 2 molecules! Molecule ' .pybuild/cpython3_3.12_parmed/build/test/test_parmedtools_actions.py::TestOtherParm::test_h_mass_repartition /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/actions.py:3329: ParmWarning: H atom detected not bound to heteroatom. Ignoring. warnings.warn('H atom detected not bound to heteroatom. Ignoring.', ParmWarning) -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html = 842 passed, 54 skipped, 19 deselected, 2 xfailed, 12016 warnings in 338.52s (0:05:38) = create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild dh_prep -O--buildsystem=pybuild dh_auto_install --destdir=debian/python3-parmed/ -O--buildsystem=pybuild I: pybuild base:311: /usr/bin/python3 setup.py install --root /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed running install /usr/lib/python3/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated. !! ******************************************************************************** Please avoid running ``setup.py`` directly. Instead, use pypa/build, pypa/installer or other standards-based tools. See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details. ******************************************************************************** !! self.initialize_options() running build running build_py UPDATING /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.3.0' running build_ext building 'parmed.amber._rdparm' extension x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.3.0+dfsg/src -I/usr/include/python3.12 -c src/_rdparm.cpp -o build/temp.linux-x86_64-cpython-312/src/_rdparm.o x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.3.0+dfsg/src -I/usr/include/python3.12 -c src/readparm.cpp -o build/temp.linux-x86_64-cpython-312/src/readparm.o x86_64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -g -fwrapv -O2 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.3.0+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-x86_64-cpython-312/src/_rdparm.o build/temp.linux-x86_64-cpython-312/src/readparm.o -L/usr/lib/x86_64-linux-gnu -o /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_rdparm.cpython-312-x86_64-linux-gnu.so UPDATING /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.3.0' running install_lib creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/residue.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/system.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/topologyobjects.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/system.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/parameterfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/tinkerfiles.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/parameterfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/tinkerfiles.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/topologyobjects.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/_charmmfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/_charmmfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/charmmcrds.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/psf.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/psf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/charmmcrds.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/gbnsr6.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/cntrl.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/ewald.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/gbnsr6.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/rism.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/pb.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/cntrl.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/mdin.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/qmmm.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/ewald.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/typing.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/rism.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/mdin.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/typing.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/pb.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/qmmm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/amberformat.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_amberparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/_chamberparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/titratable_residues.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/offlib.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/_amberparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/readparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/amberformat.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/asciicrd.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/_tinkerparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/netcdffiles.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/mask.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_rdparm.cpython-312-x86_64-linux-gnu.so -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/readparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/netcdffiles.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_chamberparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/asciicrd.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_tinkerparm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mask.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/titratable_residues.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/scripts.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/sdf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/pdb.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/sdf.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/mol2.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/psf.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/registry.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/pqr.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/PdbxReader.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/PdbxContainers.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/PdbxWriter.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxWriter.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxContainers.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pqr.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/mol2.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/psf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/registry.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdb.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/pandautils.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/io.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/netcdf.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/timer.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/pandautils.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/decorators.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/pairlist.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/io.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/decorators.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/pairlist.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/config.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_exceptions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_input.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_misc.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_edit_descriptors.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/FortranRecordReader.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_parser.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/config.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_exceptions.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_lexer.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/FortranRecordWriter.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_output.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_edit_descriptors.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_lexer.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_misc.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_output.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_input.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/FortranRecordReader.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_parser.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/FortranRecordWriter.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/netcdf.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/timer.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/vec3.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/constants.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/residue.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/vec3.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/periodic_table.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/topologyobjects.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/_version.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/exceptions.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/geometry.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/structure.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/symmetry.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/xmlfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/reporters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/utils.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/reporters.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/xmlfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/topsystem.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/utils.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/topsystem.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/residue.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__pycache__/standardtemplates.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__pycache__/residue.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data/standard_residues.lib -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data/nonstandard_ccd_residue_templates.json.gz -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data/ccd_residue_templates.json -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/standardtemplates.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/converters.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__pycache__/converters.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__pycache__/imports.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/imports.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/basedimension.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit_math.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/mymatrix.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit_definitions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/prefix.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/baseunit.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/constants.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit_operators.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/quantity.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/standard_dimensions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/__pycache__/namdbinfiles.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/namdbinfiles.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/symmetry.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/gromacsgro.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/gromacstop.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/_gromacsfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/_cpp.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/_cpp.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacsgro.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/_gromacsfile.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/periodic_table.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__pycache__/dlpolyconfig.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__pycache__/dlpolyfield.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/dlpolyfield.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/dlpolyconfig.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/argumentlist.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/parmed_cmd.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/changeradii.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/checkvalidity.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/parmlist.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/addljtype.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/actions.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/argumentlist.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/add1264.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/exceptions.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/addljtype.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/checkvalidity.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/add1264.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/actions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/logos.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/exceptions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__pycache__/openmm.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__pycache__/sanderapi.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/sanderapi.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/changeradii.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/parmlist.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/geometry.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/constants.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/topologyobjects.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/exceptions.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/structure.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/__pycache__/rdkit.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/rdkit.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/pose.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta creating /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/__pycache__/pose.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__pycache__ copying /build/reproducible-path/parmed-4.3.0+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/__init__.py -> /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/residue.py to residue.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/system.py to system.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/parameterfile.py to parameterfile.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/tinkerfiles.py to tinkerfiles.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/topologyobjects.py to topologyobjects.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/parameters.py to parameters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/_charmmfile.py to _charmmfile.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/psf.py to psf.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/charmmcrds.py to charmmcrds.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/gbnsr6.py to gbnsr6.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/cntrl.py to cntrl.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/ewald.py to ewald.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/rism.py to rism.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/mdin.py to mdin.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/typing.py to typing.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/pb.py to pb.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/qmmm.py to qmmm.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/parameters.py to parameters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/amberformat.py to amberformat.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/_amberparm.py to _amberparm.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/offlib.py to offlib.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/readparm.py to readparm.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/netcdffiles.py to netcdffiles.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/_chamberparm.py to _chamberparm.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/asciicrd.py to asciicrd.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/_tinkerparm.py to _tinkerparm.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mask.py to mask.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/titratable_residues.py to titratable_residues.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/scripts.py to scripts.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/parameters.py to parameters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/sdf.py to sdf.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py to PdbxReader.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxWriter.py to PdbxWriter.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxContainers.py to PdbxContainers.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pqr.py to pqr.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/mol2.py to mol2.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/psf.py to psf.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/registry.py to registry.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdb.py to pdb.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/pandautils.py to pandautils.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/io.py to io.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/decorators.py to decorators.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/pairlist.py to pairlist.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/config.py to config.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_exceptions.py to _exceptions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_edit_descriptors.py to _edit_descriptors.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_lexer.py to _lexer.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_misc.py to _misc.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_output.py to _output.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_input.py to _input.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/FortranRecordReader.py to FortranRecordReader.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/_parser.py to _parser.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/FortranRecordWriter.py to FortranRecordWriter.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/netcdf.py to netcdf.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/timer.py to timer.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/vec3.py to vec3.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/xmlfile.py to xmlfile.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/parameters.py to parameters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/reporters.py to reporters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/utils.py to utils.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/topsystem.py to topsystem.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/residue.py to residue.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/standardtemplates.py to standardtemplates.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/converters.py to converters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/imports.py to imports.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/basedimension.py to basedimension.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/unit_math.py to unit_math.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/mymatrix.py to mymatrix.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/unit_definitions.py to unit_definitions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/prefix.py to prefix.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/baseunit.py to baseunit.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/unit.py to unit.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/constants.py to constants.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/unit_operators.py to unit_operators.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/quantity.py to quantity.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/standard_dimensions.py to standard_dimensions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/namdbinfiles.py to namdbinfiles.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/symmetry.py to symmetry.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/gromacstop.py to gromacstop.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/_cpp.py to _cpp.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/gromacsgro.py to gromacsgro.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/_gromacsfile.py to _gromacsfile.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/periodic_table.py to periodic_table.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/_version.py to _version.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/dlpolyfield.py to dlpolyfield.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/dlpolyconfig.py to dlpolyconfig.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/argumentlist.py to argumentlist.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/parmed_cmd.py to parmed_cmd.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/addljtype.py to addljtype.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/checkvalidity.py to checkvalidity.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/add1264.py to add1264.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/actions.py to actions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/logos.py to logos.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/exceptions.py to exceptions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/openmm.py to openmm.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/sanderapi.py to sanderapi.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/changeradii.py to changeradii.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/parmlist.py to parmlist.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/geometry.py to geometry.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/constants.py to constants.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/topologyobjects.py to topologyobjects.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/exceptions.py to exceptions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/structure.py to structure.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/rdkit.py to rdkit.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/pose.py to pose.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__init__.py to __init__.cpython-312.pyc running install_egg_info running egg_info creating ParmEd.egg-info writing ParmEd.egg-info/PKG-INFO writing dependency_links to ParmEd.egg-info/dependency_links.txt writing entry points to ParmEd.egg-info/entry_points.txt writing top-level names to ParmEd.egg-info/top_level.txt writing manifest file 'ParmEd.egg-info/SOURCES.txt' dependency src/CompatabilityMacros.h won't be automatically included in the manifest: the path doesn't exist reading manifest file 'ParmEd.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' warning: no files found matching 'versioneer.py' writing manifest file 'ParmEd.egg-info/SOURCES.txt' Copying ParmEd.egg-info to /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/ParmEd-4.3.0.egg-info Skipping SOURCES.txt running install_scripts Installing parmed script to /build/reproducible-path/parmed-4.3.0+dfsg/debian/python3-parmed/usr/bin debian/rules execute_after_dh_auto_install make[1]: Entering directory '/build/reproducible-path/parmed-4.3.0+dfsg' for FILE in $(grep '^#!/bin/env' -lR debian/); do grep -v '^#!/bin/env' $FILE | sponge $FILE; done make[1]: Leaving directory '/build/reproducible-path/parmed-4.3.0+dfsg' dh_installdocs -O--buildsystem=pybuild dh_installchangelogs -O--buildsystem=pybuild dh_installman -O--buildsystem=pybuild dh_python3 -O--buildsystem=pybuild dh_installsystemduser -O--buildsystem=pybuild dh_perl -O--buildsystem=pybuild dh_link -O--buildsystem=pybuild dh_strip_nondeterminism -O--buildsystem=pybuild dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild dh_dwz -a -O--buildsystem=pybuild dh_strip -a -O--buildsystem=pybuild dh_makeshlibs -a -O--buildsystem=pybuild dh_shlibdeps -a -O--buildsystem=pybuild dh_installdeb -O--buildsystem=pybuild dh_gencontrol -O--buildsystem=pybuild dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild dpkg-deb: building package 'python3-parmed' in '../python3-parmed_4.3.0+dfsg-2_amd64.deb'. dpkg-deb: building package 'python3-parmed-dbgsym' in '../python3-parmed-dbgsym_4.3.0+dfsg-2_amd64.deb'. dpkg-genbuildinfo --build=binary -O../parmed_4.3.0+dfsg-2_amd64.buildinfo dpkg-genchanges --build=binary -O../parmed_4.3.0+dfsg-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/2223704 and its subdirectories I: Current time: Sun Jan 18 20:51:47 -12 2026 I: pbuilder-time-stamp: 1768812707 Tue Dec 17 02:28:49 UTC 2024 I: 1st build successful. Starting 2nd build on remote node ionos1-amd64.debian.net. Tue Dec 17 02:28:49 UTC 2024 I: Preparing to do remote build '2' on ionos1-amd64.debian.net. Tue Dec 17 03:14:28 UTC 2024 I: Deleting $TMPDIR on ionos1-amd64.debian.net. Tue Dec 17 03:14:29 UTC 2024 I: parmed_4.3.0+dfsg-2_amd64.changes: Format: 1.8 Date: Mon, 25 Nov 2024 04:39:22 -0500 Source: parmed Binary: python3-parmed python3-parmed-dbgsym Architecture: amd64 Version: 4.3.0+dfsg-2 Distribution: unstable Urgency: medium Maintainer: Debichem Team Changed-By: Andrius Merkys Description: python3-parmed - parameter and topology file editor and molecular mechanical simul Closes: 1088136 Changes: parmed (4.3.0+dfsg-2) unstable; urgency=medium . * Build depends on python3-versioneer (Closes: #1088136) Checksums-Sha1: ff393b5f40a8d693d1c37132513c8e166b975dff 9773 parmed_4.3.0+dfsg-2_amd64.buildinfo 31666c84039c8ad764cdaaeb394e08d51c413ceb 271680 python3-parmed-dbgsym_4.3.0+dfsg-2_amd64.deb d09af7876e271865dfb535b01b6146b2920f4ebd 18684852 python3-parmed_4.3.0+dfsg-2_amd64.deb Checksums-Sha256: ccce41a1ea74bccedd756750e7fded32a97d789f4d51f9de69f74c1eaa67f180 9773 parmed_4.3.0+dfsg-2_amd64.buildinfo 2420ae9413543c365e97df4a571bb11a7eac0ed1e828156cb6bbf46f64cafcc3 271680 python3-parmed-dbgsym_4.3.0+dfsg-2_amd64.deb 4772de418d0a33ca672a11ceb1d205137ff22c00073240b2448aa6ab555149f0 18684852 python3-parmed_4.3.0+dfsg-2_amd64.deb Files: 145a71bcb6b288d2bde082237e1e59b2 9773 science optional parmed_4.3.0+dfsg-2_amd64.buildinfo d1fcc787d21d982198646f05c8e77358 271680 debug optional python3-parmed-dbgsym_4.3.0+dfsg-2_amd64.deb 0305da4576d089cae62fb558dbcb7571 18684852 science optional python3-parmed_4.3.0+dfsg-2_amd64.deb Tue Dec 17 03:14:30 UTC 2024 I: diffoscope 284 will be used to compare the two builds: Running as unit: rb-diffoscope-amd64_4-40334.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/parmed_4.3.0+dfsg-2.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/parmed_4.3.0+dfsg-2.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/parmed_4.3.0+dfsg-2.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/b1/parmed_4.3.0+dfsg-2_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.QotbeDKP/b2/parmed_4.3.0+dfsg-2_amd64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call abc.DotChangesFile ## main (total time: 0.509s) 0.509s 2 calls outputs 0.000s 1 call cleanup ## recognizes (total time: 0.177s) 0.177s 12 calls diffoscope.comparators.binary.FilesystemFile ## specialize (total time: 0.000s) 0.000s 1 call specialize Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 822ms CPU time consumed: 823ms Tue Dec 17 03:14:31 UTC 2024 I: diffoscope 284 found no differences in the changes files, and a .buildinfo file also exists. Tue Dec 17 03:14:31 UTC 2024 I: parmed from unstable built successfully and reproducibly on amd64. Tue Dec 17 03:14:32 UTC 2024 I: Submitting .buildinfo files to external archives: Tue Dec 17 03:14:32 UTC 2024 I: Submitting 12K b1/parmed_4.3.0+dfsg-2_amd64.buildinfo.asc Tue Dec 17 03:14:33 UTC 2024 I: Submitting 12K b2/parmed_4.3.0+dfsg-2_amd64.buildinfo.asc Tue Dec 17 03:14:34 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Tue Dec 17 03:14:34 UTC 2024 I: Done submitting .buildinfo files. Tue Dec 17 03:14:34 UTC 2024 I: Removing signed parmed_4.3.0+dfsg-2_amd64.buildinfo.asc files: removed './b1/parmed_4.3.0+dfsg-2_amd64.buildinfo.asc' removed './b2/parmed_4.3.0+dfsg-2_amd64.buildinfo.asc'