descriptionThe ultimate molecular dynamics simulation package
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last changeThu, 20 Jul 2017 17:05:23 +0000 (20 13:05 -0400)
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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. It is primarily designed for biochemical molecules like proteins and lipids 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.
2 days ago Peter KassonRework and rename gmx_select_gpu_idsmaster
3 days ago Mark AbrahamStop duplicate printing of detected GPUs
3 days ago Mark AbrahamFix use of GMX_SIMD in own-fftw build
4 days ago David van der... Removed unnecessary static declarations for command...
4 days ago Mark AbrahamMade post-submit config to test clang+openmp.
4 days ago David van der... Fixed test-order dependency in gmxpreprocess tests.
4 days ago David van der... Fix non-reproducability of clustsize tests.
4 days ago Mark AbrahamImprove CMake implementation for GMX_SIMD
4 days ago Teemu MurtolaPrune unnecessary cells in analysis nbsearch
5 days ago Mark AbrahamConverted some const pointers into const references...
5 days ago Mark AbrahamEliminated pick_nbnxn_resources
6 days ago Teemu MurtolaFix hwloc detection
9 days ago Mark AbrahamImplemented grompp -po for options-style mdp handling
9 days ago Mark AbrahamClean up cmake build host detection
9 days ago Mark AbrahamClean up gmx_mdrun()
9 days ago Mark AbrahamCleaned up mdrunner_start_threads
4 months ago v2016.3
5 months ago v2016.2
8 months ago v2016.1
10 months ago v5.1.4
11 months ago v2016
12 months ago v5.1.3
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13 months ago v2016-beta2
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17 months ago v5.1.2
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2 years ago v5.0.6
2 years ago v5.1-rc1
2 years ago v5.0.5
25 hours ago alexandria
2 days ago master
12 days ago release-2016
5 weeks ago release-5-1
6 months ago drude
8 months ago qmmm
16 months ago release-5-0
21 months ago release-4-6
21 months ago comp_el_r46
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4 years ago release-4-5-patches-merge-manual
Cached version (5126s old)
 drude   qhop   science 
gromacs/regressiontests.git Gromacs Regressiontests 3 weeks ago
gromacs/tng.git 6 weeks ago
gromacs/libxdrfile.git XTC Library 2 years ago
gromacs/manual.git Gromacs manual 3 years ago
gromacs/rigid-bodies.git 6 years ago
gromacs/adressmacs.git got merge a long time ago 6 years ago
gromacs/qmmm-gamess-us.git Atempt to write QMMM interface for Gamess-US alexxy@omrb.pnpi... 7 years ago