descriptionThe ultimate molecular dynamics simulation package
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last changeThu, 22 Feb 2018 21:50:22 +0000 (22 22:50 +0100)
last refreshSat, 24 Feb 2018 04:43:23 +0000 (24 05:43 +0100)
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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.
32 hours ago Berk HessSimplify mdrun tMPI thread spawningmaster
2 days ago Mark AbrahamEnhanced docs of pimpl pointer helper
3 days ago Aleksei IupinovRemove unused OpenCL debug buffer
4 days ago Mark AbrahamRemove cycle suppression
4 days ago Mark AbrahamDisallowed change of ensemble for checkpoint restart
5 days ago Aleksei IupinovReplace *_free_buffered calls by freeDeviceBuffer
7 days ago Mark AbrahamMerge branch release-2018 into master
7 days ago Aleksei IupinovFix PME for large systems with Fermi GPUs
8 days ago Mark AbrahamUse struct for checkpoint header contents
8 days ago Aleksei IupinovUpdate FFTW build to 3.3.7
8 days ago Aleksei IupinovAdd freeDeviceBuffer GPU utility function
8 days ago Aleksei IupinovAdd the missing comma in the quote
9 days ago Mark AbrahamRemove read_checkpoint_state
9 days ago Berk HessRemove support for tpx version before 58/gmx4.0
9 days ago Mark AbrahamUse std::vector for checkpoint outputfiles
9 days ago Mark AbrahamMerge branch release-2016 into release-2018
7 days ago v2016.5
6 weeks ago v2018
8 weeks ago v2018-rc1
2 months ago v5.1.5
2 months ago v2018-beta3
2 months ago v2018-beta2
2 months ago v2018-beta1
5 months ago v2016.4
11 months ago v2016.3
12 months ago v2016.2
15 months ago v2016.1
17 months ago v5.1.4
18 months ago v2016
19 months ago v5.1.3
19 months ago v2016-rc1
20 months ago v2016-beta2
16 hours ago release-2018
32 hours ago master
4 days ago alexandria
7 days ago release-2016
9 days ago drude
6 weeks ago release-5-1
15 months ago qmmm
23 months ago release-5-0
2 years ago release-4-6
2 years ago comp_el_r46
2 years ago forceaverage
3 years ago lambda-fmm
3 years ago help
3 years ago release-4-5-patches
4 years ago mdg4
4 years ago release-4-5-localpressure
Cached version (2146s old)
 drude   qhop   science 
gromacs/regressiontests.git Gromacs Regressiontests 4 weeks ago
gromacs/AngularHB.git 3 months ago
gromacs/tng.git 4 months ago
gromacs/libxdrfile.git XTC Library 2 years ago
gromacs/manual.git Gromacs manual 4 years ago
gromacs/rigid-bodies.git 6 years ago
gromacs/adressmacs.git got merge a long time ago 7 years ago
gromacs/qmmm-gamess-us.git Atempt to write QMMM interface for Gamess-US alexxy@omrb.pnpi... 7 years ago