Branch:
bedlam-name-fixes
11.0
12.0
12.1
12.2
13.0
13.1
13.37
14.0
14.1
14.2
15.0
bedlam
bedlam-name-fixes
dive
erik
gitignore
libressl-gopher-test
master
misc-fixes
python-renames
rworkman
urchlay
user/aclemons/updates
user/anddt/development/acpica
user/anddt/development/glm
user/anddt/development/gnustep-base
user/anddt/development/gnustep-make
user/anddt/games/assaultcube-reloaded
user/anddt/games/doomseeker
user/anddt/games/prboom-plus
user/anddt/games/rocksndiamonds
user/anddt/games/rottexpr
user/anddt/games/srb2
user/anddt/graphics/blender
user/anddt/graphics/maim
user/anddt/ham/chirp
user/anddt/ham/hamlib
user/anddt/libraries/girara
user/anddt/libraries/goffice
user/anddt/libraries/gtksourceview4
user/anddt/libraries/imlib2
user/anddt/libraries/jsoncpp
user/anddt/libraries/libnova
user/anddt/libraries/libopenmpt
user/anddt/libraries/libtorrent
user/anddt/libraries/wxGTK3
user/anddt/libraries/xmlrpc-c
user/anddt/misc/discount
user/anddt/misc/slop
user/anddt/network/nethogs
user/anddt/network/putty
user/anddt/network/rclone
user/anddt/network/rtorrent
user/anddt/network/sshguard
user/anddt/network/strongswan
user/anddt/network/umurmur
user/anddt/network/yt-dlp
user/anddt/network/znc
user/anddt/office/gnumeric
user/anddt/office/sigil
user/anddt/system/FontAwesome
user/anddt/system/conky
user/anddt/system/fakeroot
user/anddt/system/hplip-plugin
user/anddt/system/postgresql
user/anddt/system/testdisk
user/anddt/system/worker
user/anddt/system/xen
user/anddt/system/zzzfm
user/belka/updates
user/chris.willing/updates
user/dslackw/updates
user/elyk/updates
user/kingbeowulf/updates
user/mario/updates
user/ponce/updates
user/pprkut/updates
willysr
wxWidgets-wip
GPG-KEY
15.0-20230325.1
15.0-20230318.1
15.0-20230312.1
15.0-20230304.1
15.0-20230225.1
15.0-20230218.1
15.0-20230211.1
15.0-20230204.1
15.0-20230128.1
15.0-20230121.1
15.0-20230114.1
15.0-20230107.1
15.0-20221231.1
15.0-20221223.1
15.0-20221217.1
15.0-20221210.1
15.0-20221203.1
15.0-20221126.1
15.0-20221119.1
15.0-20221112.1
15.0-20221105.1
15.0-20221029.1
15.0-20221020.1
15.0-20221015.1
15.0-20221008.1
15.0-20221001.1
15.0-20220925.1
15.0-20220917.1
15.0-20220910.1
15.0-20220903.1
15.0-20220827.1
15.0-20220820.1
15.0-20220813.1
15.0-20220806.1
15.0-20220730.1
15.0-20220723.1
15.0-20220716.1
15.0-20220709.1
15.0-20220702.1
15.0-20220618.1
15.0-20220611.1
15.0-20220604.1
15.0-20220528.1
15.0-20220521.1
15.0-20220514.1
15.0-20220507.1
15.0-20220430.1
15.0-20220423.1
15.0-20220416.1
15.0-20220409.1
15.0-20220402.1
15.0-20220326.1
15.0-20220320.1
15.0-20220317.1
15.0-20220312.1
15.0-20220311.1
14.2-20210417.1
14.2-20210410.1
14.2-20210403.1
14.2-20210327.1
14.2-20210320.1
14.2-20210313.1
14.2-20210306.1
14.2-20210227.1
14.2-20210220.1
14.2-20210213.1
14.2-20210206.1
14.2-20210130.1
14.2-20210123.1
14.2-20210117.1
14.2-20210109.1
14.2-20210102.1
14.2-20201226.1
14.2-20201219.1
14.2-20201212.1
14.2-20201206.1
14.2-20201128.1
14.2-20201121.1
14.2-20201114.1
14.2-20201107.1
14.2-20201031.1
14.2-20201024.1
14.2-20201017.1
14.2-20201010.1
14.2-20201003.1
14.2-20200926.1
14.2-20200919.1
14.2-20200912.1
14.2-20200905.1
14.2-20200829.1
14.2-20200628.1
14.2-20200620.1
14.2-20200614.1
14.2-20200606.1
14.2-20200601.1
14.2-20200523.1
14.2-20200516.1
14.2-20200510.1
14.2-20200503.1
14.2-20200424.1
14.2-20200419.1
14.2-20200411.1
14.2-20200406.1
14.2-20200404.1
14.2-20200328.1
14.2-20200321.1
14.2-20200314.1
14.2-20200307.1
14.2-20200229.1
14.2-20200223.1
14.2-20200215.1
14.2-20200208.1
14.2-20200201.1
14.2-20200126.1
14.2-20200118.1
14.2-20200112.1
14.2-20200103.1
14.2-20191231.1
14.2-20191221.1
14.2-20191215.1
14.2-20191207.1
14.2-20191201.1
14.2-20191123.1
14.2-20191116.1
14.2-20191109.1
14.2-20191102.1
14.2-20191026.1
14.2-20191019.1
14.2-20191012.1
14.2-20191005.1
14.2-20190928.1
14.2-20190921.1
14.2-20190914.1
14.2-20190907.1
14.2-20190831.1
14.2-20190824.1
14.2-20190818.1
14.2-20190810.1
14.2-20190803.1
14.2-20190727.1
14.2-20190720.1
14.2-20190713.1
14.2-20190706.2
14.2-20190706.1
14.2-20190629.1
14.2-20190622.1
14.2-20190615.1
14.2-20190608.1
14.2-20190601.1
14.2-20190525.1
14.2-20190518.1
14.2-20190511.1
14.2-20190504.1
14.2-20190427.1
14.2-20190420.1
14.2-20190413.1
14.2-20190406.1
14.2-20190330.1
14.2-20190323.1
14.2-20190316.1
14.2-20190302.1
14.2-20190223.1
14.2-20190217.1
14.2-20190209.1
14.2-20190202.1
14.2-20190126.1
14.2-20190119.1
14.2-20190112.1
14.2-20190105.1
14.2-20181229.1
14.2-20181225.1
14.2-20181222.1
14.2-20181215.1
14.2-20181209.1
14.2-20181201.1
14.2-20181124.1
14.2-20181117.1
14.2-20181110.1
14.2-20181103.1
14.2-20181027.1
14.2-20181020.1
14.2-20181013.1
14.2-20181006.1
14.2-20180929.1
14.2-20180923.1
14.2-20180922.1
14.2-20180915.1
14.2-20180908.1
14.2-20180901.1
14.2-20180825.1
14.2-20180818.1
14.2-20180811.1
14.2-20180804.1
14.2-20180728.1
14.2-20180721.1
14.2-20180717.1
14.2-20180714.1
14.2-20180707.1
14.2-20180630.1
14.2-20180623.1
14.2-20180618.1
14.2-20180614.1
14.2-20180609.1
14.2-20180602.1
14.2-20180526.1
14.2-20180520.1
14.2-20180519.1
14.2-20180512.1
14.2-20180504.1
14.2-20180427.1
14.2-20180421.1
14.2-20180414.1
14.2-20180407.1
14.2-20180401.1
14.2-20180331.1
14.2-20180324.1
14.2-20180317.1
14.2-20180310.1
14.2-20180305.1
14.2-20180303.1
14.2-20180224.1
14.2-20180217.1
14.2-20180210.1
14.2-20180203.1
14.2-20180127.1
14.2-20180120.1
14.2-20180117.1
14.2-20180113.1
14.2-20180110.1
14.2-20180106.1
14.2-20171228.1
14.2-20171223.1
14.2-20171221.1
14.2-20171216.1
14.2-20171209.1
14.2-20171201.1
14.2-20171124.1
14.2-20171120.1
14.2-20171118.1
14.2-20171111.1
14.2-20171104.1
14.2-20171101
14.2-20171028.1
14.2-20171021.1
14.2-20171014.2
14.2-20171014.1
14.2-20171010.1
14.2-20171007.1
14.2-20170930.1
14.2-20170923.1
14.2-20170917.1
14.2-20170916.1
14.2-20170909.1
14.2-20170902.1
14.2-20170826.1
14.2-20170819.1
14.2-20170813.1
14.2-20170812.1
14.2-20170805.1
14.2-20170729.1
14.2-20170726.1
14.2-20170722.1
14.2-20170715.1
14.2-20170712.1
14.2-20170708.1
14.2-20170701.1
14.2-20170624.1
14.2-20170617.1
14.2-20170615.1
14.2-20170610.1
14.2-20170606.1
14.2-20170603.1
14.2-20170527.1
14.2-20170520.1
14.2-20170513.1
14.2-20170506.1
14.2-20170429.1
14.2-20170422.1
14.2-20170415.1
14.2-20170413.1
14.2-20170408.2
14.2-20170408.1
14.2-20170401.1
14.2-20170326.1
14.2-20170325.1
14.2-20170318.1
14.2-20170311.1
14.2-20170305.1
14.2-20170304.1
14.2-20170225.1
14.2-20170221.1
14.2-20170218.1
14.2-20170211.1
14.2-20170204.1
14.2-20170128.1
14.2-20170124.1
14.2-20170121.1
14.2-20170114.1
14.2-20170110.1
14.2-20170109.1
14.2-20170107.1
14.2-20161231.1
14.2-20161224.1
14.2-20161217.2
14.2-20161217.1
14.2-20161210.1
14.2-20161204.1
14.2-20161203.1
14.2-20161126.1
14.2-20161119.1
14.2-20161115.1
14.2-20161114.1
14.2-20161112.1
14.2-20161111.1
14.2-20161105.1
14.2-20161029.1
14.2-20161022.1
14.2-20161015.1
14.2-20161008.1
14.2-20161001.2
14.2-20161001.1
14.2-20160925.1
14.2-20160924.1
14.2-20160917.1
14.2-20160914.2
14.2-20160914.1
14.2-20160911.2
14.2-20160911.1
14.2-20160903.1
14.2-20160827.1
14.2-20160820.1
14.2-20160814.1
14.2-20160813.1
14.2-20160807.1
14.2-20160805.1
14.2-20160730.1
14.2-20160724.1
14.2-20160721.1
14.2-20160720.2
14.2-20160720.1
14.2-20160717.2
14.2-20160717.1
14.2-20160709.1
14.2-20160702.2
14.2-20160702.1
14.1-20160902.1
14.1-20160629.1
14.1-20160627.2
14.1-20160627.1
14.1-20160625.1
14.1-20160623.1
14.1-20160619.2
14.1-20160619.1
14.1-20160512.1
14.1-20160419.1
14.1-20160407.1
14.1-20160403.1
14.1-20160321.1
14.1-20160227.1
14.1-20160117.1
14.1-20160113.1
14.1-20160111.1
14.1-20160109.1
14.1-20160101.1
14.1-20151225.2
14.1-20151225.1
14.1-20151219.1
14.1-20151212.1
14.1-20151205.1
14.1-20151128.1
14.1-20151121.1
14.1-20151114.1
14.1-20151107.1
14.1-20151031.1
14.1-20151024.1
14.1-20151018.1
14.1-20151010.1
14.1-20151003.1
14.1-20150926.1
14.1-20150919.1
14.1-20150912.1
14.1-20150906.1
14.1-20150905.1
14.1-20150829.2
14.1-20150829.1
14.1-20150822.1
14.1-20150815.1
14.1-20150809.1
14.1-20150801.1
14.1-20150725.1
14.1-20150716.1
14.1-20150712.1
14.1-20150708.1
14.1-20150704.1
14.1-20150628.2
14.1-20150628.1
14.1-20150620.2
14.1-20150620.1
14.1-20150614.2
14.1-20150614.1
14.1-20150607.1
14.1-20150531.1
14.1-20150524.1
14.1-20150517.1
14.1-20150510.1
14.1-20150503.1
14.1-20150426.1
14.1-20150419.1
14.1-20150412.1
14.1-20150405.1
14.1-20150329.1
14.1-20150322.1
14.1-20150314.1
14.1-20150307.1
14.1-20150228.2
14.1-20150228.1
14.1-20150221.1
14.1-20150215.1
14.1-20150208.1
14.1-20150207.1
14.1-20150131.1
14.1-20150124.1
14.1-20150118.1
14.1-20150110.1
14.1-20150103.1
14.1-20141231.1
14.1-20141228.1
14.1-20141225.1
14.1-20141220.1
14.1-20141213.1
14.1-20141206.1
14.1-20141129.2
14.1-20141129.1
14.1-20141122.1
14.1-20141115.1
14.1-20141107.1
14.1-20141101.1
14.1-20141025.1
14.1-20141018.2
14.1-20141018.1
14.1-20141011.1
14.1-20141005.1
14.1-20140927.1
14.1-20140920.1
14.1-20140913.1
14.1-20140905.2
14.1-20140905.1
14.1-20140830.2
14.1-20140830.1
14.1-20140822.1
14.1-20140815.1
14.1-20140809.1
14.1-20140803.1
14.1-20140722.1
14.1-20140717.1
14.1-20140707.1
14.1-20140705.1
14.1-20140629.2
14.1-20140629.1
14.1-20140623.1
14.1-20140618.1
14.1-20140611.1
14.1-20140604.1
14.1-20140528.1
14.1-20140520.1
14.1-20140514.1
14.1-20140505.1
14.1-20140429.1
14.1-20140427.1
14.1-20140423.1
14.1-20140414.1
14.1-20140413.1
14.1-20140412.1
14.1-20140322.1
14.1-20140321.1
14.1-20140312.1
14.1-20140307.1
14.1-20140221.1
14.1-20140218.1
14.1-20140216.1
14.1-20140211.1
14.1-20140208.1
14.1-20140202.2
14.1-20140202.1
14.1-20140201.1
14.1-20140130.1
14.1-20140107.1
14.1-20131225.1
14.1-20131217.1
14.1-20131214.1
14.1-20131206.1
14.1-20131202.1
14.1-20131130.1
14.1-20131128.1
14.1-20131126.1
14.1-20130321.1
14.0-20131116.1
14.0-20131114.2
14.0-20131114.1
14.0-20131112.1
14.0-20131111.1
14.0-20131106.1
14.0-20131104.1
14.0-20131031.1
14.0-20131030.1
14.0-20131028.1
14.0-20131012.1
14.0-20130714.2
14.0-20130714.1
14.0-20130707.1
14.0-20130702.1
14.0-20130629.1
14.0-20130623.1
14.0-20130616.1
14.0-20130609.1
14.0-20130605.1
14.0-20130604.1
14.0-20130513.1
14.0-20130428.1
14.0-20130415.2
14.0-20130415.1
14.0-20130322.1
14.0-20130304.1
14.0-20130225.1
14.0-20130223.1
14.0-20130214.1
14.0-20130206.1
14.0-20130120.1
14.0-20130110.1
14.0-20130101.1
14.0-20121230.1
14.0-20121225.1
14.0-20121223.1
14.0-20121212.1
14.0-20121124.1
14.0-20121118.1
14.0-20121104.1
14.0-20121018.1
14.0-20121007.2
14.0-20121007.1
14.0-20121002.1
13.37-20120815.1
13.37-20120801.1
13.37-20120721.1
13.37-20120702.1
13.37-20120701.1
13.37-20120603.1
13.37-20120527.1
13.37-20120521.1
13.37-20120514.1
13.37-20120508.1
13.37-20120507.1
13.37-20120430.1
13.37-20120422.1
13.37-20120416.1
13.37-20120409.1
13.37-20120402.1
13.37-20120330.1
13.37-20120329.1
13.37-20120220.2
13.37-20120220.1
13.37-20120218.1
13.37-20120212.1
13.37-20120113.1
13.37-20111231.1
13.37-20111227.1
13.37-20111223.1
13.37-20111222.1
13.37-20111218.2
13.37-20111218.1
13.37-20111211.1
13.37-20111126.2
13.37-20111126.1
13.37-20111105.1
13.37-20111022.1
13.37-20111012.1
13.37-20110929.1
13.37-20110921.1
13.37-20110906.1
13.37-20110905.1
13.37-20110829.1
13.37-20110811.1
13.37-20110722.1
13.37-20110714.1
13.37-20110620.1
13.37-20110613.1
13.37-20110519.1
13.37-20110517.1
13.37-20110503.1
13.37-20110427.1
13.1-20120121.1
13.1-20110406.1
13.1-20110327.1
13.1-20110314.1
13.1-20110310.1
13.1-20110308.1
13.1-20110304.1
13.1-20110301.1
13.1-20110228.1
13.1-20110207.1
13.1-20110116.1
13.1-20110110.1
13.1-20110102.1
13.1-20110101.1
13.1-20101229.1
13.1-20101227.1
13.1-20101221.1
13.1-20101217.1
13.1-20101212.2
13.1-20101212.1
13.1-20101207
13.1-20101205
13.1-20101129.1
13.1-20101122.1
13.1-20101025.1
13.1-20101020.1
13.1-20101018.1
13.1-20101012.1
13.1-20100922.1
13.1-20100912.1
13.1-20100830.1
13.1-20100829.1
13.1-20100823.1
13.1-20100818.1
13.1-20100816.1
13.1-20100815.1
13.1-20100811.1
13.1-20100801.1
13.1-20100726.1
13.1-20100721.1
13.1-20100716.1
13.1-20100711.1
13.1-20100710.1
13.1-20100708.2
13.1-20100708.1
13.1-20100706.1
13.1-20100704.2
13.1-20100704.1
13.1-20100703.2
13.1-20100703.1
13.1-20100702.1
13.1-20100701.2
13.1-20100701.1
13.1-20100630.1
13.1-20100629.1
13.1-20100623.1
13.1-20100620.1
13.1-20100617.2
13.1-20100617.1
13.1-20100616.2
13.1-20100616.1
13.1-20100615.1
13.1-20100614.2
13.1-20100614.1
13.1-20100613
13.1-20100612
13.1-20100609
13.1-20100606
13.1-20100605
13.1-20100527.2
13.1-20100527.1
13.1-20100517
13.1-20100428
13.1-20100422
13.1-20100410
13.1-20100407
13.1-20100324
13.1-20100322
13.1-20100321.2
13.1-20100321
13.1-20100217.1
B. Watson
a3104144b2
academic/gromacs: Minor template nitpick.
|
1 year ago | |
|---|---|---|
| .. | ||
| README | 2daec929f0 academic/gromacs: Added (gromacs project) | 1 year ago |
| gromacs.SlackBuild | a3104144b2 academic/gromacs: Minor template nitpick. | 1 year ago |
| gromacs.info | 2daec929f0 academic/gromacs: Added (gromacs project) | 1 year ago |
| slack-desc | 2daec929f0 academic/gromacs: Added (gromacs project) | 1 year ago |
README
GROMACS is a versatile package to perform molecular dynamics, i.e.
simulate the Newtonian equations of motion for systems with hundreds
to millions of particles and is a community-driven project.
It is primarily designed for biochemical molecules like proteins,
lipids and nucleic acids that have a lot of complicated bonded
interactions, but since GROMACS is extremely fast at calculating the
nonbonded interactions (that usually dominate simulations) many groups
are also using it for research on non-biological systems, e.g.
polymers and fluid dynamics.
Optional dependences:
For run-time detection of hardware capabilities set HWLOC=yes. This
requires hwloc.
To enable MPI set PARALLEL=yes. This requires a MPI implementation
either openmpi or mpich.
For enabling CUDA set CUDA=yes. This requires the CUDA SDK.
To enable OpenCL set OPENCL=yes. This requires a OpenCL
implementation.
simulate the Newtonian equations of motion for systems with hundreds
to millions of particles and is a community-driven project.
It is primarily designed for biochemical molecules like proteins,
lipids and nucleic acids that have a lot of complicated bonded
interactions, but since GROMACS is extremely fast at calculating the
nonbonded interactions (that usually dominate simulations) many groups
are also using it for research on non-biological systems, e.g.
polymers and fluid dynamics.
Optional dependences:
For run-time detection of hardware capabilities set HWLOC=yes. This
requires hwloc.
To enable MPI set PARALLEL=yes. This requires a MPI implementation
either openmpi or mpich.
For enabling CUDA set CUDA=yes. This requires the CUDA SDK.
To enable OpenCL set OPENCL=yes. This requires a OpenCL
implementation.