Tree:
331a473f1a
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
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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
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15.0-20220702.1
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15.0-20220604.1
15.0-20220528.1
15.0-20220521.1
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15.0-20220507.1
15.0-20220430.1
15.0-20220423.1
15.0-20220416.1
15.0-20220409.1
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15.0-20220326.1
15.0-20220320.1
15.0-20220317.1
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14.2-20210417.1
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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
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14.2-20191102.1
14.2-20191026.1
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14.2-20191005.1
14.2-20190928.1
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14.2-20190706.2
14.2-20190706.1
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14.2-20190622.1
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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
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14.2-20180310.1
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14.2-20180303.1
14.2-20180224.1
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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
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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
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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
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14.2-20170624.1
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14.2-20170615.1
14.2-20170610.1
14.2-20170606.1
14.2-20170603.1
14.2-20170527.1
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14.2-20170513.1
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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
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14.1-20151225.2
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B. Watson
8e989a2f49
academic/gromacs: Minor template nitpick.
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| README | 2daec929f0 academic/gromacs: Added (gromacs project) | 2 anos atrás |
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| gromacs.info | 2daec929f0 academic/gromacs: Added (gromacs project) | 2 anos atrás |
| slack-desc | 2daec929f0 academic/gromacs: Added (gromacs project) | 2 anos atrás |
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.