I: pbuilder: network access will be disabled during build I: Current time: Sun Sep 22 02:58:05 +14 2024 I: pbuilder-time-stamp: 1726923485 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-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_4.2.2+dfsg-3.dsc] I: copying [./parmed_4.2.2+dfsg.orig.tar.xz] I: copying [./parmed_4.2.2+dfsg-3.debian.tar.xz] I: Extracting source gpgv: Signature made Wed Jan 3 10:19:44 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_4.2.2+dfsg-3.dsc: no acceptable signature found dpkg-source: info: extracting parmed in parmed-4.2.2+dfsg dpkg-source: info: unpacking parmed_4.2.2+dfsg.orig.tar.xz dpkg-source: info: unpacking parmed_4.2.2+dfsg-3.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/3435657/tmp/hooks/D01_modify_environment starting debug: Running on codethink02-arm64. I: Changing host+domainname to test build reproducibility I: Adding a custom variable just for the fun of it... I: Changing /bin/sh to bash '/bin/sh' -> '/bin/bash' lrwxrwxrwx 1 root root 9 Sep 21 12:58 /bin/sh -> /bin/bash I: Setting pbuilder2's login shell to /bin/bash I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other I: user script /srv/workspace/pbuilder/3435657/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/3435657/tmp/hooks/D02_print_environment starting I: set BASH=/bin/sh BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath BASH_ALIASES=() BASH_ARGC=() BASH_ARGV=() BASH_CMDS=() BASH_LINENO=([0]="12" [1]="0") BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") BASH_VERSION='5.2.32(1)-release' BUILDDIR=/build/reproducible-path BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' BUILDUSERNAME=pbuilder2 BUILD_ARCH=arm64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DIRSTACK=() DISTRIBUTION=trixie EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=aarch64 HOST_ARCH=arm64 IFS=' ' INVOCATION_ID=7b3c4d8db7ba465ca3d137a6ee19ffe8 LANG=C LANGUAGE=nl_BE:nl LC_ALL=C MACHTYPE=aarch64-unknown-linux-gnu MAIL=/var/mail/root OPTERR=1 OPTIND=1 OSTYPE=linux-gnu PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path PBCURRENTCOMMANDLINEOPERATION=build PBUILDER_OPERATION=build PBUILDER_PKGDATADIR=/usr/share/pbuilder PBUILDER_PKGLIBDIR=/usr/lib/pbuilder PBUILDER_SYSCONFDIR=/etc PIPESTATUS=([0]="0") POSIXLY_CORRECT=y PPID=3435657 PS4='+ ' PWD=/ SHELL=/bin/bash SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix SHLVL=3 SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.QCYvjSw3/pbuilderrc_Tju7 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.QCYvjSw3/b2 --logfile b2/build.log parmed_4.2.2+dfsg-3.dsc' SUDO_GID=109 SUDO_UID=104 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://192.168.101.4:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-25-cloud-arm64 #1 SMP Debian 6.1.106-3 (2024-08-26) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin I: user script /srv/workspace/pbuilder/3435657/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: arm64 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 dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19895 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. 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} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas3{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} libopenmpi3t64{a} libpciaccess0{a} libpipeline1{a} libpixman-1-0{a} libpmix2t64{a} libpng16-16t64{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-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-six{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-zipp{a} python3.12{a} python3.12-dev{a} python3.12-minimal{a} rdkit-data{a} readline-common{a} sensible-utils{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-numexpr python3-odf python3-openpyxl python3-pydot python3-pygments python3-pygraphviz python3-scipy python3-tables python3-yaml wget 0 packages upgraded, 160 newly installed, 0 to remove and 0 not upgraded. Need to get 241 MB of archives. After unpacking 1244 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main arm64 libpython3.12-minimal arm64 3.12.6-1 [806 kB] Get: 2 http://deb.debian.org/debian trixie/main arm64 libexpat1 arm64 2.6.3-1 [90.2 kB] Get: 3 http://deb.debian.org/debian trixie/main arm64 python3.12-minimal arm64 3.12.6-1 [1935 kB] Get: 4 http://deb.debian.org/debian trixie/main arm64 python3-minimal arm64 3.12.5-1+b1 [26.9 kB] Get: 5 http://deb.debian.org/debian trixie/main arm64 media-types all 10.1.0 [26.9 kB] Get: 6 http://deb.debian.org/debian trixie/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main arm64 tzdata all 2024a-4 [255 kB] Get: 8 http://deb.debian.org/debian trixie/main arm64 libkrb5support0 arm64 1.21.3-3 [32.1 kB] Get: 9 http://deb.debian.org/debian trixie/main arm64 libcom-err2 arm64 1.47.1-1 [22.8 kB] Get: 10 http://deb.debian.org/debian trixie/main arm64 libk5crypto3 arm64 1.21.3-3 [80.8 kB] Get: 11 http://deb.debian.org/debian trixie/main arm64 libkeyutils1 arm64 1.6.3-3 [9112 B] Get: 12 http://deb.debian.org/debian trixie/main arm64 libkrb5-3 arm64 1.21.3-3 [310 kB] Get: 13 http://deb.debian.org/debian trixie/main arm64 libgssapi-krb5-2 arm64 1.21.3-3 [126 kB] Get: 14 http://deb.debian.org/debian trixie/main arm64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 15 http://deb.debian.org/debian trixie/main arm64 libtirpc3t64 arm64 1.3.4+ds-1.3 [78.4 kB] Get: 16 http://deb.debian.org/debian trixie/main arm64 libnsl2 arm64 1.3.0-3+b2 [37.7 kB] Get: 17 http://deb.debian.org/debian trixie/main arm64 readline-common all 8.2-5 [69.3 kB] Get: 18 http://deb.debian.org/debian trixie/main arm64 libreadline8t64 arm64 8.2-5 [159 kB] Get: 19 http://deb.debian.org/debian trixie/main arm64 libpython3.12-stdlib arm64 3.12.6-1 [1898 kB] Get: 20 http://deb.debian.org/debian trixie/main arm64 python3.12 arm64 3.12.6-1 [669 kB] Get: 21 http://deb.debian.org/debian trixie/main arm64 libpython3-stdlib arm64 3.12.5-1+b1 [9872 B] Get: 22 http://deb.debian.org/debian trixie/main arm64 python3 arm64 3.12.5-1+b1 [27.9 kB] Get: 23 http://deb.debian.org/debian trixie/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 24 http://deb.debian.org/debian trixie/main arm64 libmagic-mgc arm64 1:5.45-3 [314 kB] Get: 25 http://deb.debian.org/debian trixie/main arm64 libmagic1t64 arm64 1:5.45-3 [100 kB] Get: 26 http://deb.debian.org/debian trixie/main arm64 file arm64 1:5.45-3 [43.0 kB] Get: 27 http://deb.debian.org/debian trixie/main arm64 gettext-base arm64 0.22.5-2 [198 kB] Get: 28 http://deb.debian.org/debian trixie/main arm64 libuchardet0 arm64 0.0.8-1+b1 [69.0 kB] Get: 29 http://deb.debian.org/debian trixie/main arm64 groff-base arm64 1.23.0-5 [1129 kB] Get: 30 http://deb.debian.org/debian trixie/main arm64 bsdextrautils arm64 2.40.2-8 [96.6 kB] Get: 31 http://deb.debian.org/debian trixie/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 32 http://deb.debian.org/debian trixie/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 33 http://deb.debian.org/debian trixie/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 34 http://deb.debian.org/debian trixie/main arm64 autoconf all 2.72-3 [493 kB] Get: 35 http://deb.debian.org/debian trixie/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 36 http://deb.debian.org/debian trixie/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 37 http://deb.debian.org/debian trixie/main arm64 autopoint all 0.22.5-2 [723 kB] Get: 38 http://deb.debian.org/debian trixie/main arm64 libdebhelper-perl all 13.20 [89.7 kB] Get: 39 http://deb.debian.org/debian trixie/main arm64 libtool all 2.4.7-7 [517 kB] Get: 40 http://deb.debian.org/debian trixie/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 41 http://deb.debian.org/debian trixie/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 42 http://deb.debian.org/debian trixie/main arm64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 43 http://deb.debian.org/debian trixie/main arm64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 44 http://deb.debian.org/debian trixie/main arm64 libelf1t64 arm64 0.191-2 [188 kB] Get: 45 http://deb.debian.org/debian trixie/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 46 http://deb.debian.org/debian trixie/main arm64 libicu72 arm64 72.1-5 [9224 kB] Get: 47 http://deb.debian.org/debian trixie/main arm64 libxml2 arm64 2.9.14+dfsg-1.3+b3 [624 kB] Get: 48 http://deb.debian.org/debian trixie/main arm64 gettext arm64 0.22.5-2 [1532 kB] Get: 49 http://deb.debian.org/debian trixie/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 50 http://deb.debian.org/debian trixie/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 51 http://deb.debian.org/debian trixie/main arm64 debhelper all 13.20 [915 kB] Get: 52 http://deb.debian.org/debian trixie/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 53 http://deb.debian.org/debian trixie/main arm64 python3-more-itertools all 10.4.0-1 [63.7 kB] Get: 54 http://deb.debian.org/debian trixie/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 55 http://deb.debian.org/debian trixie/main arm64 python3-typeguard all 4.3.0-1 [36.5 kB] Get: 56 http://deb.debian.org/debian trixie/main arm64 python3-inflect all 7.3.1-1 [42.2 kB] Get: 57 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 58 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.functools all 4.0.2-1 [11.7 kB] Get: 59 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 74.1.2-2 [213 kB] Get: 60 http://deb.debian.org/debian trixie/main arm64 python3-zipp all 3.20.2-1 [10.3 kB] Get: 61 http://deb.debian.org/debian trixie/main arm64 python3-setuptools all 74.1.2-2 [736 kB] Get: 62 http://deb.debian.org/debian trixie/main arm64 dh-python all 6.20240824 [109 kB] Get: 63 http://deb.debian.org/debian trixie/main arm64 fonts-freefont-ttf all 20211204+svn4273-2 [5318 kB] Get: 64 http://deb.debian.org/debian trixie/main arm64 fontconfig-config arm64 2.15.0-1.1 [317 kB] Get: 65 http://deb.debian.org/debian trixie/main arm64 fonts-mathjax all 2.7.9+dfsg-1 [2210 kB] Get: 66 http://deb.debian.org/debian trixie/main arm64 libjs-mathjax all 2.7.9+dfsg-1 [5667 kB] Get: 67 http://deb.debian.org/debian trixie/main arm64 gromacs-data all 2024.2-1 [43.4 MB] Get: 68 http://deb.debian.org/debian trixie/main arm64 libblas3 arm64 3.12.0-3 [91.7 kB] Get: 69 http://deb.debian.org/debian trixie/main arm64 libfftw3-double3 arm64 3.3.10-1+b3 [329 kB] Get: 70 http://deb.debian.org/debian trixie/main arm64 libfftw3-single3 arm64 3.3.10-1+b3 [497 kB] Get: 71 http://deb.debian.org/debian trixie/main arm64 libhwloc15 arm64 2.11.0-2 [140 kB] Get: 72 http://deb.debian.org/debian trixie/main arm64 libgfortran5 arm64 14.2.0-3 [362 kB] Get: 73 http://deb.debian.org/debian trixie/main arm64 liblapack3 arm64 3.12.0-3 [1757 kB] Get: 74 http://deb.debian.org/debian trixie/main arm64 libmuparser2v5 arm64 2.3.4-1 [123 kB] Get: 75 http://deb.debian.org/debian trixie/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10 [125 kB] Get: 76 http://deb.debian.org/debian trixie/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [54.1 kB] Get: 77 http://deb.debian.org/debian trixie/main arm64 libnl-3-200 arm64 3.7.0-0.3 [56.5 kB] Get: 78 http://deb.debian.org/debian trixie/main arm64 libnl-route-3-200 arm64 3.7.0-0.3 [165 kB] Get: 79 http://deb.debian.org/debian trixie/main arm64 libibverbs1 arm64 52.0-2 [58.2 kB] Get: 80 http://deb.debian.org/debian trixie/main arm64 ibverbs-providers arm64 52.0-2 [316 kB] Get: 81 http://deb.debian.org/debian trixie/main arm64 librdmacm1t64 arm64 52.0-2 [66.5 kB] Get: 82 http://deb.debian.org/debian trixie/main arm64 libfabric1 arm64 1.17.0-3+b1 [479 kB] Get: 83 http://deb.debian.org/debian trixie/main arm64 libmunge2 arm64 0.5.15-4 [19.2 kB] Get: 84 http://deb.debian.org/debian trixie/main arm64 libpciaccess0 arm64 0.17-3+b1 [51.1 kB] Get: 85 http://deb.debian.org/debian trixie/main arm64 libxau6 arm64 1:1.0.9-1+b1 [18.1 kB] Get: 86 http://deb.debian.org/debian trixie/main arm64 libxdmcp6 arm64 1:1.1.2-3+b1 [24.3 kB] Get: 87 http://deb.debian.org/debian trixie/main arm64 libxcb1 arm64 1.17.0-2 [143 kB] Get: 88 http://deb.debian.org/debian trixie/main arm64 libx11-data all 2:1.8.7-1 [328 kB] Get: 89 http://deb.debian.org/debian trixie/main arm64 libx11-6 arm64 2:1.8.7-1+b1 [775 kB] Get: 90 http://deb.debian.org/debian trixie/main arm64 libxext6 arm64 2:1.3.4-1+b1 [51.7 kB] Get: 91 http://deb.debian.org/debian trixie/main arm64 libxnvctrl0 arm64 535.171.04-1 [13.8 kB] Get: 92 http://deb.debian.org/debian trixie/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b1 [39.3 kB] Get: 93 http://deb.debian.org/debian trixie/main arm64 libhwloc-plugins arm64 2.11.0-2 [17.8 kB] Get: 94 http://deb.debian.org/debian trixie/main arm64 libpmix2t64 arm64 5.0.3-2 [581 kB] Get: 95 http://deb.debian.org/debian trixie/main arm64 libedit2 arm64 3.1-20240808-1 [89.2 kB] Get: 96 http://deb.debian.org/debian trixie/main arm64 libz3-4 arm64 4.8.12-3.1+b2 [6508 kB] Get: 97 http://deb.debian.org/debian trixie/main arm64 libllvm17t64 arm64 1:17.0.6-18 [21.3 MB] Get: 98 http://deb.debian.org/debian trixie/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b1 [12.1 MB] Get: 99 http://deb.debian.org/debian trixie/main arm64 libdrm-common all 2.4.123-1 [8084 B] Get: 100 http://deb.debian.org/debian trixie/main arm64 libdrm2 arm64 2.4.123-1 [38.0 kB] Get: 101 http://deb.debian.org/debian trixie/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [21.6 kB] Get: 102 http://deb.debian.org/debian trixie/main arm64 libnuma1 arm64 2.0.18-1 [21.4 kB] Get: 103 http://deb.debian.org/debian trixie/main arm64 libhsakmt1 arm64 5.7.0-1 [57.6 kB] Get: 104 http://deb.debian.org/debian trixie/main arm64 libhsa-runtime64-1 arm64 5.7.1-3 [278 kB] Get: 105 http://deb.debian.org/debian trixie/main arm64 libamdhip64-5 arm64 5.7.1-3 [8698 kB] Get: 106 http://deb.debian.org/debian trixie/main arm64 libibumad3 arm64 52.0-2 [26.9 kB] Get: 107 http://deb.debian.org/debian trixie/main arm64 libibmad5 arm64 52.0-2 [41.3 kB] Get: 108 http://deb.debian.org/debian trixie/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 109 http://deb.debian.org/debian trixie/main arm64 libopenmpi3t64 arm64 4.1.6-13.3 [2170 kB] Get: 110 http://deb.debian.org/debian trixie/main arm64 libgromacs9 arm64 2024.2-1 [27.8 MB] Get: 111 http://deb.debian.org/debian trixie/main arm64 gromacs arm64 2024.2-1 [61.9 kB] Get: 112 http://deb.debian.org/debian trixie/main arm64 libboost-python1.83.0 arm64 1.83.0-3.2 [296 kB] Get: 113 http://deb.debian.org/debian trixie/main arm64 libboost-serialization1.83.0 arm64 1.83.0-3.2 [325 kB] Get: 114 http://deb.debian.org/debian trixie/main arm64 libbrotli1 arm64 1.1.0-2+b4 [292 kB] Get: 115 http://deb.debian.org/debian trixie/main arm64 libpng16-16t64 arm64 1.6.43-5 [272 kB] Get: 116 http://deb.debian.org/debian trixie/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 117 http://deb.debian.org/debian trixie/main arm64 libfontconfig1 arm64 2.15.0-1.1 [385 kB] Get: 118 http://deb.debian.org/debian trixie/main arm64 libpixman-1-0 arm64 0.42.2-1+b1 [477 kB] Get: 119 http://deb.debian.org/debian trixie/main arm64 libxcb-render0 arm64 1.17.0-2 [115 kB] Get: 120 http://deb.debian.org/debian trixie/main arm64 libxcb-shm0 arm64 1.17.0-2 [105 kB] Get: 121 http://deb.debian.org/debian trixie/main arm64 libxrender1 arm64 1:0.9.10-1.1+b1 [27.0 kB] Get: 122 http://deb.debian.org/debian trixie/main arm64 libcairo2 arm64 1.18.2-1 [483 kB] Get: 123 http://deb.debian.org/debian trixie/main arm64 libcoordgen3 arm64 3.0.2-1+b1 [199 kB] Get: 124 http://deb.debian.org/debian trixie/main arm64 libexpat1-dev arm64 2.6.3-1 [142 kB] Get: 125 http://deb.debian.org/debian trixie/main arm64 libinchi1.07 arm64 1.07.1+dfsg-3 [499 kB] Get: 126 http://deb.debian.org/debian trixie/main arm64 libio-pty-perl arm64 1:1.20-1+b1 [34.0 kB] Get: 127 http://deb.debian.org/debian trixie/main arm64 libipc-run-perl all 20231003.0-2 [101 kB] Get: 128 http://deb.debian.org/debian trixie/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 129 http://deb.debian.org/debian trixie/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 130 http://deb.debian.org/debian trixie/main arm64 libjs-sphinxdoc all 7.4.7-3 [158 kB] Get: 131 http://deb.debian.org/debian trixie/main arm64 libmaeparser1 arm64 1.3.1-1+b1 [84.7 kB] Get: 132 http://deb.debian.org/debian trixie/main arm64 libopenmm8.1 arm64 8.1.2+dfsg-1 [921 kB] Get: 133 http://deb.debian.org/debian trixie/main arm64 libopenmm-dev arm64 8.1.2+dfsg-1 [330 kB] Get: 134 http://deb.debian.org/debian trixie/main arm64 libopenmm-plugins arm64 8.1.2+dfsg-1 [1243 kB] Get: 135 http://deb.debian.org/debian trixie/main arm64 libpython3.12t64 arm64 3.12.6-1 [1981 kB] Get: 136 http://deb.debian.org/debian trixie/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1 [916 kB] Get: 137 http://deb.debian.org/debian trixie/main arm64 libpython3.12-dev arm64 3.12.6-1 [4782 kB] Get: 138 http://deb.debian.org/debian trixie/main arm64 libpython3-dev arm64 3.12.5-1+b1 [10.1 kB] Get: 139 http://deb.debian.org/debian trixie/main arm64 librdkit1t64 arm64 202309.3-5 [4399 kB] Get: 140 http://deb.debian.org/debian trixie/main arm64 libtime-duration-perl all 1.21-2 [13.1 kB] Get: 141 http://deb.debian.org/debian trixie/main arm64 libtimedate-perl all 2.3300-2 [39.3 kB] Get: 142 http://deb.debian.org/debian trixie/main arm64 libxslt1.1 arm64 1.1.35-1.1 [221 kB] Get: 143 http://deb.debian.org/debian trixie/main arm64 moreutils arm64 0.69-1 [62.5 kB] Get: 144 http://deb.debian.org/debian trixie/main arm64 python3-six all 1.16.0-7 [16.4 kB] Get: 145 http://deb.debian.org/debian trixie/main arm64 python3-dateutil all 2.9.0-2 [79.4 kB] Get: 146 http://deb.debian.org/debian trixie/main arm64 python3.12-dev arm64 3.12.6-1 [506 kB] Get: 147 http://deb.debian.org/debian trixie/main arm64 python3-dev arm64 3.12.5-1+b1 [26.1 kB] Get: 148 http://deb.debian.org/debian trixie/main arm64 python3-iniconfig all 1.1.1-2 [6396 B] Get: 149 http://deb.debian.org/debian trixie/main arm64 python3-lxml arm64 5.3.0-1 [1096 kB] Get: 150 http://deb.debian.org/debian trixie/main arm64 python3-networkx all 3.2.1-4 [14.2 MB] Get: 151 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:1.26.4+ds-11 [3351 kB] Get: 152 http://deb.debian.org/debian trixie/main arm64 python3-openmm arm64 8.1.2+dfsg-1 [6530 kB] Get: 153 http://deb.debian.org/debian trixie/main arm64 python3-packaging all 24.1-1 [45.8 kB] Get: 154 http://deb.debian.org/debian trixie/main arm64 python3-tz all 2024.1-2 [30.9 kB] Get: 155 http://deb.debian.org/debian trixie/main arm64 python3-pandas-lib arm64 2.2.2+dfsg-4+b1 [3571 kB] Get: 156 http://deb.debian.org/debian trixie/main arm64 python3-pandas all 2.2.2+dfsg-4 [3095 kB] Get: 157 http://deb.debian.org/debian trixie/main arm64 python3-pluggy all 1.5.0-1 [26.9 kB] Get: 158 http://deb.debian.org/debian trixie/main arm64 python3-pytest all 8.3.2-1 [249 kB] Get: 159 http://deb.debian.org/debian trixie/main arm64 rdkit-data all 202309.3-5 [13.1 MB] Get: 160 http://deb.debian.org/debian trixie/main arm64 python3-rdkit arm64 202309.3-5 [4338 kB] Fetched 241 MB in 3s (68.9 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (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 ... 19895 files and directories currently installed.) Preparing to unpack .../libpython3.12-minimal_3.12.6-1_arm64.deb ... Unpacking libpython3.12-minimal:arm64 (3.12.6-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.3-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.3-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.6-1_arm64.deb ... Unpacking python3.12-minimal (3.12.6-1) ... Setting up libpython3.12-minimal:arm64 (3.12.6-1) ... Setting up libexpat1:arm64 (2.6.3-1) ... Setting up python3.12-minimal (3.12.6-1) ... 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 ... 20215 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.5-1+b1_arm64.deb ... Unpacking python3-minimal (3.12.5-1+b1) ... 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_2024a-4_all.deb ... Unpacking tzdata (2024a-4) ... Selecting previously unselected package libkrb5support0:arm64. Preparing to unpack .../04-libkrb5support0_1.21.3-3_arm64.deb ... Unpacking libkrb5support0:arm64 (1.21.3-3) ... Selecting previously unselected package libcom-err2:arm64. Preparing to unpack .../05-libcom-err2_1.47.1-1_arm64.deb ... Unpacking libcom-err2:arm64 (1.47.1-1) ... Selecting previously unselected package libk5crypto3:arm64. Preparing to unpack .../06-libk5crypto3_1.21.3-3_arm64.deb ... Unpacking libk5crypto3:arm64 (1.21.3-3) ... Selecting previously unselected package libkeyutils1:arm64. Preparing to unpack .../07-libkeyutils1_1.6.3-3_arm64.deb ... Unpacking libkeyutils1:arm64 (1.6.3-3) ... Selecting previously unselected package libkrb5-3:arm64. Preparing to unpack .../08-libkrb5-3_1.21.3-3_arm64.deb ... Unpacking libkrb5-3:arm64 (1.21.3-3) ... Selecting previously unselected package libgssapi-krb5-2:arm64. Preparing to unpack .../09-libgssapi-krb5-2_1.21.3-3_arm64.deb ... Unpacking libgssapi-krb5-2:arm64 (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:arm64. Preparing to unpack .../11-libtirpc3t64_1.3.4+ds-1.3_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3 to /lib/aarch64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64' Adding 'diversion of /lib/aarch64-linux-gnu/libtirpc.so.3.0.0 to /lib/aarch64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64' Unpacking libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Selecting previously unselected package libnsl2:arm64. Preparing to unpack .../12-libnsl2_1.3.0-3+b2_arm64.deb ... Unpacking libnsl2:arm64 (1.3.0-3+b2) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_8.2-5_all.deb ... Unpacking readline-common (8.2-5) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../14-libreadline8t64_8.2-5_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-5) ... Selecting previously unselected package libpython3.12-stdlib:arm64. Preparing to unpack .../15-libpython3.12-stdlib_3.12.6-1_arm64.deb ... Unpacking libpython3.12-stdlib:arm64 (3.12.6-1) ... Selecting previously unselected package python3.12. Preparing to unpack .../16-python3.12_3.12.6-1_arm64.deb ... Unpacking python3.12 (3.12.6-1) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../17-libpython3-stdlib_3.12.5-1+b1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up python3-minimal (3.12.5-1+b1) ... 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 ... 21289 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.5-1+b1_arm64.deb ... Unpacking python3 (3.12.5-1+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.45-3_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../003-libmagic1t64_1%3a5.45-3_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.45-3_arm64.deb ... Unpacking file (1:5.45-3) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.22.5-2_arm64.deb ... Unpacking gettext-base (0.22.5-2) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../006-libuchardet0_0.0.8-1+b1_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b1) ... Selecting previously unselected package groff-base. Preparing to unpack .../007-groff-base_1.23.0-5_arm64.deb ... Unpacking groff-base (1.23.0-5) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../008-bsdextrautils_2.40.2-8_arm64.deb ... Unpacking bsdextrautils (2.40.2-8) ... Selecting previously unselected package libpipeline1:arm64. Preparing to unpack .../009-libpipeline1_1.5.8-1_arm64.deb ... Unpacking libpipeline1:arm64 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../010-man-db_2.13.0-1_arm64.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package m4. Preparing to unpack .../011-m4_1.4.19-4_arm64.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package autoconf. Preparing to unpack .../012-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../013-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... Selecting previously unselected package automake. Preparing to unpack .../014-automake_1%3a1.16.5-1.3_all.deb ... Unpacking automake (1:1.16.5-1.3) ... Selecting previously unselected package autopoint. Preparing to unpack .../015-autopoint_0.22.5-2_all.deb ... Unpacking autopoint (0.22.5-2) ... Selecting previously unselected package libdebhelper-perl. Preparing to unpack .../016-libdebhelper-perl_13.20_all.deb ... Unpacking libdebhelper-perl (13.20) ... Selecting previously unselected package libtool. Preparing to unpack .../017-libtool_2.4.7-7_all.deb ... Unpacking libtool (2.4.7-7) ... Selecting previously unselected package dh-autoreconf. Preparing to unpack .../018-dh-autoreconf_20_all.deb ... Unpacking dh-autoreconf (20) ... Selecting previously unselected package libarchive-zip-perl. Preparing to unpack .../019-libarchive-zip-perl_1.68-1_all.deb ... Unpacking libarchive-zip-perl (1.68-1) ... Selecting previously unselected package libfile-stripnondeterminism-perl. Preparing to unpack .../020-libfile-stripnondeterminism-perl_1.14.0-1_all.deb ... Unpacking libfile-stripnondeterminism-perl (1.14.0-1) ... Selecting previously unselected package dh-strip-nondeterminism. Preparing to unpack .../021-dh-strip-nondeterminism_1.14.0-1_all.deb ... Unpacking dh-strip-nondeterminism (1.14.0-1) ... Selecting previously unselected package libelf1t64:arm64. Preparing to unpack .../022-libelf1t64_0.191-2_arm64.deb ... Unpacking libelf1t64:arm64 (0.191-2) ... Selecting previously unselected package dwz. Preparing to unpack .../023-dwz_0.15-1+b1_arm64.deb ... Unpacking dwz (0.15-1+b1) ... Selecting previously unselected package libicu72:arm64. Preparing to unpack .../024-libicu72_72.1-5_arm64.deb ... Unpacking libicu72:arm64 (72.1-5) ... Selecting previously unselected package libxml2:arm64. Preparing to unpack .../025-libxml2_2.9.14+dfsg-1.3+b3_arm64.deb ... Unpacking libxml2:arm64 (2.9.14+dfsg-1.3+b3) ... Selecting previously unselected package gettext. Preparing to unpack .../026-gettext_0.22.5-2_arm64.deb ... Unpacking gettext (0.22.5-2) ... Selecting previously unselected package intltool-debian. Preparing to unpack .../027-intltool-debian_0.35.0+20060710.6_all.deb ... Unpacking intltool-debian (0.35.0+20060710.6) ... Selecting previously unselected package po-debconf. Preparing to unpack .../028-po-debconf_1.0.21+nmu1_all.deb ... Unpacking po-debconf (1.0.21+nmu1) ... Selecting previously unselected package debhelper. Preparing to unpack .../029-debhelper_13.20_all.deb ... Unpacking debhelper (13.20) ... Selecting previously unselected package python3-autocommand. Preparing to unpack .../030-python3-autocommand_2.2.2-3_all.deb ... Unpacking python3-autocommand (2.2.2-3) ... Selecting previously unselected package python3-more-itertools. Preparing to unpack .../031-python3-more-itertools_10.4.0-1_all.deb ... Unpacking python3-more-itertools (10.4.0-1) ... Selecting previously unselected package python3-typing-extensions. 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Setting up libpixman-1-0:arm64 (0.42.2-1+b1) ... Setting up libpciaccess0:arm64 (0.17-3+b1) ... Setting up libxau6:arm64 (1:1.0.9-1+b1) ... Setting up libxdmcp6:arm64 (1:1.1.2-3+b1) ... Setting up libkeyutils1:arm64 (1.6.3-3) ... Setting up libxcb1:arm64 (1.17.0-2) ... Setting up fonts-mathjax (2.7.9+dfsg-1) ... Setting up libfftw3-single3:arm64 (3.3.10-1+b3) ... Setting up libicu72:arm64 (72.1-5) ... Setting up bsdextrautils (2.40.2-8) ... Setting up libjs-mathjax (2.7.9+dfsg-1) ... Setting up libio-pty-perl (1:1.20-1+b1) ... Setting up libmagic-mgc (1:5.45-3) ... Setting up libxcb-render0:arm64 (1.17.0-2) ... Setting up libarchive-zip-perl (1.68-1) ... Setting up libtirpc-common (1.3.4+ds-1.3) ... Setting up libdebhelper-perl (13.20) ... Setting up libbrotli1:arm64 (1.1.0-2+b4) ... Setting up libedit2:arm64 (3.1-20240808-1) ... Setting up libmagic1t64:arm64 (1:5.45-3) ... Setting up libibumad3:arm64 (52.0-2) ... Setting up fonts-freefont-ttf (20211204+svn4273-2) ... Setting up gettext-base (0.22.5-2) ... Setting up m4 (1.4.19-4) ... Setting up libxcb-shm0:arm64 (1.17.0-2) ... Setting up libibmad5:arm64 (52.0-2) ... Setting up libcom-err2:arm64 (1.47.1-1) ... Setting up file (1:5.45-3) ... Setting up rdkit-data (202309.3-5) ... Setting up libelf1t64:arm64 (0.191-2) ... Setting up libkrb5support0:arm64 (1.21.3-3) ... Setting up libmaeparser1:arm64 (1.3.1-1+b1) ... Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' Local time is now: Sat Sep 21 13:00:05 UTC 2024. Universal Time is now: Sat Sep 21 13:00:05 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libboost-serialization1.83.0:arm64 (1.83.0-3.2) ... Setting up autotools-dev (20220109.1) ... Setting up libz3-4:arm64 (4.8.12-3.1+b2) ... Setting up libblas3:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode Setting up libmunge2:arm64 (0.5.15-4) ... Setting up libexpat1-dev:arm64 (2.6.3-1) ... Setting up libx11-data (2:1.8.7-1) ... Setting up libpng16-16t64:arm64 (1.6.43-5) ... Setting up libhwloc15:arm64 (2.11.0-2) ... Setting up autopoint (0.22.5-2) ... Setting up libipc-run-perl (20231003.0-2) ... Setting up libk5crypto3:arm64 (1.21.3-3) ... Setting up libfftw3-double3:arm64 (3.3.10-1+b3) ... Setting up libgfortran5:arm64 (14.2.0-3) ... 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:arm64 (1:1.3.dfsg+really1.3.1-1) ... Setting up libnuma1:arm64 (2.0.18-1) ... Setting up dwz (0.15-1+b1) ... Setting up sensible-utils (0.0.24) ... Setting up ocl-icd-libopencl1:arm64 (2.3.2-1+b1) ... Setting up libuchardet0:arm64 (0.0.8-1+b1) ... Setting up libnl-3-200:arm64 (3.7.0-0.3) ... Setting up libx11-6:arm64 (2:1.8.7-1+b1) ... Setting up netbase (6.4) ... Setting up libkrb5-3:arm64 (1.21.3-3) ... Setting up libevent-core-2.1-7t64:arm64 (2.1.12-stable-10) ... Setting up libmuparser2v5:arm64 (2.3.4-1) ... Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... Setting up libcoordgen3:arm64 (3.0.2-1+b1) ... Setting up libinchi1.07 (1.07.1+dfsg-3) ... Setting up libopenmm8.1 (8.1.2+dfsg-1) ... Setting up libdrm-common (2.4.123-1) ... Setting up readline-common (8.2-5) ... Setting up libxml2:arm64 (2.9.14+dfsg-1.3+b3) ... 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 (2024.2-1) ... Setting up liblapack3:arm64 (3.12.0-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode Setting up gettext (0.22.5-2) ... Setting up moreutils (0.69-1) ... Setting up libxrender1:arm64 (1:0.9.10-1.1+b1) ... Setting up libtool (2.4.7-7) ... Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... Setting up fontconfig-config (2.15.0-1.1) ... Setting up libxext6:arm64 (2:1.3.4-1+b1) ... Setting up libopenmm-dev (8.1.2+dfsg-1) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3) ... Setting up libxnvctrl0:arm64 (535.171.04-1) ... Setting up dh-autoreconf (20) ... Setting up libllvm17t64:arm64 (1:17.0.6-18) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up libgssapi-krb5-2:arm64 (1.21.3-3) ... Setting up libjs-sphinxdoc (7.4.7-3) ... Setting up libopenmm-plugins (8.1.2+dfsg-1) ... Setting up libreadline8t64:arm64 (8.2-5) ... Setting up dh-strip-nondeterminism (1.14.0-1) ... Setting up libdrm2:arm64 (2.4.123-1) ... Setting up groff-base (1.23.0-5) ... Setting up libxslt1.1:arm64 (1.1.35-1.1) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b1) ... Setting up libfontconfig1:arm64 (2.15.0-1.1) ... Setting up libdrm-amdgpu1:arm64 (2.4.123-1) ... Setting up libibverbs1:arm64 (52.0-2) ... Setting up libtirpc3t64:arm64 (1.3.4+ds-1.3) ... Setting up ibverbs-providers:arm64 (52.0-2) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libhwloc-plugins:arm64 (2.11.0-2) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up libcairo2:arm64 (1.18.2-1) ... Setting up libpmix2t64:arm64 (5.0.3-2) ... Setting up libnsl2:arm64 (1.3.0-3+b2) ... Setting up librdmacm1t64:arm64 (52.0-2) ... Setting up libhsakmt1:arm64 (5.7.0-1) ... Setting up libfabric1:arm64 (1.17.0-3+b1) ... Setting up libpython3.12-stdlib:arm64 (3.12.6-1) ... Setting up python3.12 (3.12.6-1) ... Setting up debhelper (13.20) ... Setting up libpython3.12t64:arm64 (3.12.6-1) ... Setting up libhsa-runtime64-1:arm64 (5.7.1-3) ... Setting up libpython3-stdlib:arm64 (3.12.5-1+b1) ... Setting up librdkit1t64 (202309.3-5) ... Setting up python3 (3.12.5-1+b1) ... Setting up libpython3.12-dev:arm64 (3.12.6-1) ... Setting up python3-zipp (3.20.2-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up python3-tz (2024.1-2) ... Setting up python3-six (1.16.0-7) ... Setting up python3-packaging (24.1-1) ... Setting up libamdhip64-5 (5.7.1-3) ... Setting up python3.12-dev (3.12.6-1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up python3-pluggy (1.5.0-1) ... Setting up python3-lxml:arm64 (5.3.0-1) ... Setting up python3-dateutil (2.9.0-2) ... Setting up python3-more-itertools (10.4.0-1) ... Setting up python3-iniconfig (1.1.1-2) ... Setting up libucx0:arm64 (1.17.0+ds-3) ... Setting up libpython3-dev:arm64 (3.12.5-1+b1) ... Setting up python3-jaraco.functools (4.0.2-1) ... Setting up python3-jaraco.context (6.0.0-1) ... Setting up python3-pytest (8.3.2-1) ... Setting up python3-typeguard (4.3.0-1) ... Setting up python3-inflect (7.3.1-1) ... Setting up python3-dev (3.12.5-1+b1) ... Setting up libopenmpi3t64:arm64 (4.1.6-13.3) ... Setting up python3-pkg-resources (74.1.2-2) ... Setting up python3-setuptools (74.1.2-2) ... Setting up libgromacs9:arm64 (2024.2-1) ... Setting up python3-networkx (3.2.1-4) ... Setting up gromacs (2024.2-1) ... Setting up python3-numpy (1:1.26.4+ds-11) ... Setting up python3-openmm (8.1.2+dfsg-1) ... /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 (6.20240824) ... Setting up python3-pandas-lib:arm64 (2.2.2+dfsg-4+b1) ... Setting up python3-pandas (2.2.2+dfsg-4) ... Setting up python3-rdkit (202309.3-5) ... Processing triggers for libc-bin (2.40-2) ... 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: user script /srv/workspace/pbuilder/3435657/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for trixie I: user script /srv/workspace/pbuilder/3435657/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/parmed-4.2.2+dfsg/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../parmed_4.2.2+dfsg-3_source.changes dpkg-buildpackage: info: source package parmed dpkg-buildpackage: info: source version 4.2.2+dfsg-3 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Andrius Merkys dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build' (and everything under it) 'build/bdist.linux-aarch64' 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-4.2.2+dfsg' rm -rf ParmEd.egg-info make[1]: Leaving directory '/build/reproducible-path/parmed-4.2.2+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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/vec3.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/topologyobjects.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/symmetry.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/structure.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/scripts.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/residue.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/periodic_table.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/geometry.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/exceptions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/constants.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/_version.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed copying parmed/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/titratable_residues.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/readparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/offlib.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/netcdffiles.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/mask.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/asciicrd.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/amberformat.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/_tinkerparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/_chamberparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/_amberparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber copying parmed/amber/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller copying parmed/modeller/standardtemplates.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller copying parmed/modeller/residue.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller copying parmed/modeller/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/topologyobjects.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/tinkerfiles.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/system.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/parameterfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker copying parmed/tinker/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit_operators.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit_math.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit_definitions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/unit.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/standard_dimensions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/quantity.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/prefix.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/mymatrix.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/constants.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/baseunit.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/basedimension.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit copying parmed/unit/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/typing.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/rism.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/qmmm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/pb.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/mdin.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/gbnsr6.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/ewald.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/cntrl.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin copying parmed/amber/mdin/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/psf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/charmmcrds.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/_charmmfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm copying parmed/charmm/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/PdbxWriter.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/PdbxReader.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx copying parmed/formats/pdbx/PdbxContainers.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta copying parmed/rosetta/pose.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta copying parmed/rosetta/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit copying parmed/rdkit/rdkit.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit copying parmed/rdkit/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit copying parmed/formats/sdf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/registry.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/psf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/pqr.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/pdb.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/mol2.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats copying parmed/formats/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/config.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_parser.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_output.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_misc.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_lexer.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_input.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_exceptions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/_edit_descriptors.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/FortranRecordWriter.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat copying parmed/utils/fortranformat/FortranRecordReader.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/xmlfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/utils.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/topsystem.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/reporters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/openmm/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm copying parmed/utils/timer.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/pandautils.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/pairlist.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/netcdf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/io.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/decorators.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils copying parmed/utils/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/gromacstop.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/gromacsgro.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/_gromacsfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/_cpp.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs copying parmed/gromacs/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/parmlist.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/parmed_cmd.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/logos.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/exceptions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/checkvalidity.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/changeradii.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/argumentlist.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/addljtype.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/add1264.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/actions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools copying parmed/tools/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd copying parmed/namd/namdbinfiles.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd copying parmed/namd/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations copying parmed/tools/simulations/sanderapi.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations copying parmed/tools/simulations/openmm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations copying parmed/tools/simulations/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos copying parmed/entos/imports.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos copying parmed/entos/converters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos copying parmed/entos/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly copying parmed/dlpoly/dlpolyfield.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly copying parmed/dlpoly/dlpolyconfig.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly copying parmed/dlpoly/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly creating /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data copying parmed/modeller/data/standard_residues.lib -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data copying parmed/modeller/data/ccd_residue_templates.json -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data copying parmed/modeller/data/nonstandard_ccd_residue_templates.json.gz -> /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data UPDATING /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.2.2' running build_ext building 'parmed.amber._rdparm' extension creating build creating build/temp.linux-aarch64-cpython-312 creating build/temp.linux-aarch64-cpython-312/src aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.2.2+dfsg/src -I/usr/include/python3.12 -c src/_rdparm.cpp -o build/temp.linux-aarch64-cpython-312/src/_rdparm.o aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.2.2+dfsg/src -I/usr/include/python3.12 -c src/readparm.cpp -o build/temp.linux-aarch64-cpython-312/src/readparm.o aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-aarch64-cpython-312/src/_rdparm.o build/temp.linux-aarch64-cpython-312/src/readparm.o -L/usr/lib/aarch64-linux-gnu -o /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_rdparm.cpython-312-aarch64-linux-gnu.so UPDATING /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.2.2' dh_auto_test -O--buildsystem=pybuild I: pybuild base:311: cd /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build; python3.12 -m pytest -k 'not test_download' ============================= test session starts ============================== platform linux -- Python 3.12.6, pytest-8.3.2, pluggy-1.5.0 rootdir: /build/reproducible-path/parmed-4.2.2+dfsg plugins: typeguard-4.3.0 collected 916 items / 19 deselected / 897 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............................................. [ 38%] 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.1 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.2 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.3 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.4 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.5 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.6 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.7 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.8 Printing /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/test/files/ash.parm7.9 Printing /build/reproducible-path/parmed-4.2.2+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/formats/pdbx/PdbxReader.py:329 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:329: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute parmed/formats/pdbx/PdbxReader.py:331 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:331: SyntaxWarning: invalid escape sequence '\s' "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings parmed/formats/pdbx/PdbxReader.py:332 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:332: SyntaxWarning: invalid escape sequence '\s' "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings parmed/formats/pdbx/PdbxReader.py:334 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:334: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) parmed/formats/pdbx/PdbxReader.py:336 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:336: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words parmed/formats/pdbx/PdbxReader.py:401 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:401: SyntaxWarning: invalid escape sequence '\S' "(?:_(.+?)[.](\S+))" "|" # _category.attribute parmed/formats/pdbx/PdbxReader.py:403 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:403: SyntaxWarning: invalid escape sequence '\s' "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings parmed/formats/pdbx/PdbxReader.py:405 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:405: SyntaxWarning: invalid escape sequence '\s' "(?:\s*#.*$)" "|" # comments (dumped) parmed/formats/pdbx/PdbxReader.py:407 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py:407: SyntaxWarning: invalid escape sequence '\S' "(\S+)" # unquoted words parmed/amber/parameters.py:28 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:28: SyntaxWarning: invalid escape sequence '\s' '%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) parmed/amber/parameters.py:34 /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:34: SyntaxWarning: invalid escape sequence '\s' '%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) 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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:291: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:537: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:537: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py:637: 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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py:896: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py:191: 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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py:479: 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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/actions.py:3322: 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 = 841 passed, 54 skipped, 19 deselected, 2 xfailed, 12027 warnings in 1017.89s (0:16:57) = 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-4.2.2+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-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.2.2' running build_ext building 'parmed.amber._rdparm' extension aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.2.2+dfsg/src -I/usr/include/python3.12 -c src/_rdparm.cpp -o build/temp.linux-aarch64-cpython-312/src/_rdparm.o aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -I/build/reproducible-path/parmed-4.2.2+dfsg/src -I/usr/include/python3.12 -c src/readparm.cpp -o build/temp.linux-aarch64-cpython-312/src/readparm.o aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/parmed-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -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-4.2.2+dfsg=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-aarch64-cpython-312/src/_rdparm.o build/temp.linux-aarch64-cpython-312/src/readparm.o -L/usr/lib/aarch64-linux-gnu -o /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_rdparm.cpython-312-aarch64-linux-gnu.so UPDATING /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py set /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py to '4.2.2' running install_lib creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12 creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/symmetry.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/structure.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/vec3.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/geometry.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/constants.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/topologyobjects.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/residue.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/periodic_table.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/exceptions.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/_version.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__pycache__ creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__pycache__/dlpolyconfig.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__pycache__/dlpolyfield.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/dlpolyconfig.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/dlpoly/dlpolyfield.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/dlpoly creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__pycache__/imports.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__pycache__/converters.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/converters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/entos/imports.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/entos creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/__pycache__/namdbinfiles.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/namd/namdbinfiles.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/namd creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/checkvalidity.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/add1264.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/changeradii.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/addljtype.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/parmlist.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/exceptions.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/argumentlist.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/actions.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/__pycache__ creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__pycache__/openmm.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__pycache__/sanderapi.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/openmm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/simulations/sanderapi.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools/simulations copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/actions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/add1264.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/addljtype.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/argumentlist.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/changeradii.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/checkvalidity.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/exceptions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/logos.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/parmed_cmd.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tools/parmlist.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tools creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/gromacsgro.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/_cpp.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/_gromacsfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/gromacstop.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/_cpp.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/_gromacsfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacsgro.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/gromacs/gromacstop.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/gromacs creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/xmlfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/utils.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/topsystem.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/reporters.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/reporters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/topsystem.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/utils.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/openmm/xmlfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/openmm creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/timer.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/pandautils.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/netcdf.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/io.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/decorators.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/pairlist.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/decorators.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/io.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/netcdf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/pairlist.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/pandautils.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/timer.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_output.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/FortranRecordWriter.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_lexer.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_parser.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/config.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_misc.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_exceptions.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_edit_descriptors.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/_input.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/FortranRecordReader.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/FortranRecordReader.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/FortranRecordWriter.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_edit_descriptors.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_exceptions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_input.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_lexer.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_misc.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_output.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/_parser.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/utils/fortranformat/config.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/utils/fortranformat creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/__pycache__/rdkit.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rdkit/rdkit.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rdkit creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/__pycache__/pose.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/rosetta/pose.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/sdf.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/psf.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/pqr.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/pdb.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/mol2.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/registry.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/mol2.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdb.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pqr.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/psf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/registry.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/sdf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/PdbxWriter.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/PdbxContainers.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/PdbxReader.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxContainers.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxReader.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/PdbxWriter.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/formats/pdbx/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/charmmcrds.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/_charmmfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/psf.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/_charmmfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/charmmcrds.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/charmm/psf.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/charmm creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/basedimension.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/baseunit.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/constants.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/mymatrix.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/prefix.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/quantity.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/standard_dimensions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit_definitions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit_math.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/unit/unit_operators.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/unit creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/topologyobjects.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/system.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/parameterfile.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/tinkerfiles.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/parameterfile.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/system.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/tinkerfiles.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/tinker/topologyobjects.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/tinker creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__pycache__/standardtemplates.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__pycache__/residue.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/__pycache__ creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data/nonstandard_ccd_residue_templates.json.gz -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data/ccd_residue_templates.json -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/data/standard_residues.lib -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller/data copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/residue.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/modeller/standardtemplates.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/modeller creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_rdparm.cpython-312-aarch64-linux-gnu.so -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/titratable_residues.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/_tinkerparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/_chamberparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/_amberparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/readparm.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/parameters.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/netcdffiles.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/mask.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/asciicrd.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/offlib.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/amberformat.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/__pycache__ creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin creating /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/gbnsr6.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/rism.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/qmmm.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/pb.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/ewald.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/typing.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/cntrl.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/mdin.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__pycache__/__init__.cpython-312.pyc -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin/__pycache__ copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/cntrl.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/ewald.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/gbnsr6.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/mdin.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/pb.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/qmmm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/rism.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mdin/typing.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/mdin copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_amberparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_chamberparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/_tinkerparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/amberformat.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/asciicrd.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/mask.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/netcdffiles.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/offlib.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/readparm.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/amber/titratable_residues.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/__init__.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/_version.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/constants.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/exceptions.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/geometry.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/parameters.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/periodic_table.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/residue.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/scripts.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/structure.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/symmetry.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/topologyobjects.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed copying /build/reproducible-path/parmed-4.2.2+dfsg/.pybuild/cpython3_3.12_parmed/build/parmed/vec3.py -> /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed byte-compiling /build/reproducible-path/parmed-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/rosetta/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py to PdbxReader.cpython-312.pyc /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:329: SyntaxWarning: invalid escape sequence '\S' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:331: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:332: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:334: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:336: SyntaxWarning: invalid escape sequence '\S' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:401: SyntaxWarning: invalid escape sequence '\S' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:403: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:405: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/dist-packages/parmed/formats/pdbx/PdbxReader.py:407: SyntaxWarning: invalid escape sequence '\S' byte-compiling /build/reproducible-path/parmed-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+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-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/amber/parameters.py to parameters.cpython-312.pyc /usr/lib/python3.12/dist-packages/parmed/amber/parameters.py:28: SyntaxWarning: invalid escape sequence '\s' /usr/lib/python3.12/dist-packages/parmed/amber/parameters.py:34: SyntaxWarning: invalid escape sequence '\s' byte-compiling /build/reproducible-path/parmed-4.2.2+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-4.2.2+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-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/__init__.py to __init__.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/_version.py to _version.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/constants.py to constants.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/exceptions.py to exceptions.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/geometry.py to geometry.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/parameters.py to parameters.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+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-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/residue.py to residue.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/scripts.py to scripts.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/structure.py to structure.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/symmetry.py to symmetry.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/topologyobjects.py to topologyobjects.cpython-312.pyc byte-compiling /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/parmed/vec3.py to vec3.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' writing manifest file 'ParmEd.egg-info/SOURCES.txt' Copying ParmEd.egg-info to /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/lib/python3.12/dist-packages/ParmEd-4.2.2.egg-info Skipping SOURCES.txt running install_scripts Installing parmed script to /build/reproducible-path/parmed-4.2.2+dfsg/debian/python3-parmed/usr/bin debian/rules execute_after_dh_auto_install make[1]: Entering directory '/build/reproducible-path/parmed-4.2.2+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-4.2.2+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 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged 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_4.2.2+dfsg-3_arm64.deb'. dpkg-deb: building package 'python3-parmed-dbgsym' in '../python3-parmed-dbgsym_4.2.2+dfsg-3_arm64.deb'. dpkg-genbuildinfo --build=binary -O../parmed_4.2.2+dfsg-3_arm64.buildinfo dpkg-genchanges --build=binary -O../parmed_4.2.2+dfsg-3_arm64.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: user script /srv/workspace/pbuilder/3435657/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/3435657/tmp/hooks/B01_cleanup finished 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/3435657 and its subdirectories I: Current time: Sun Sep 22 03:19:12 +14 2024 I: pbuilder-time-stamp: 1726924752