descriptionThe ultimate molecular dynamics simulation package
homepage URLhttp://www.gromacs.org
repository URLgit://git.gromacs.org/gromacs
ownerjunghans@votca.org
last changeWed, 5 Dec 2018 14:58:16 +0000 (5 15:58 +0100)
last refreshMon, 10 Dec 2018 04:15:24 +0000 (10 05:15 +0100)
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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. 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.
shortlog
4 days ago David van der... Added new testing code for normal mode analysis.master
5 days ago David van der... Small update to mdrun tests.
5 days ago Christian Blaumdspan - extents of multidimensional arrays.
5 days ago David van der... Removed gmx morph
5 days ago David van der... Removed gmx dyndom
5 days ago David van der... Removed gmx anadock
2018-11-22 Mark AbrahamMerge "Merge branch 'release-2019'"
2018-11-22 Christian Blaumdspan - basic infrastructure
2018-11-21 David van der... Merge branch 'release-2019'
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-11-20 M. Eric IrrgangBump gmxapi version number for 2020 development cycle.
2018-11-20 Mark AbrahamPartial revert of "Fix inefficient shell minimization"
2018-11-20 Mark AbrahamMerge "Merge release-2019 into master"
2018-11-19 Joe Jordanfix unused variable warning from gmxapi compilation
2018-11-19 Mark AbrahamFix inefficient shell minimization
2018-11-18 David van der... Added citation for new analysis functionality.
...
tags
2 weeks ago v2019-beta3
3 weeks ago v2018.4
4 weeks ago v2019-beta2
6 weeks ago v2019-beta1
3 months ago v2018.3
5 months ago v2018.2
8 months ago v2018.1
9 months ago v2016.5
10 months ago v2018
11 months ago v2018-rc1
11 months ago v5.1.5
11 months ago v2018-beta3
11 months ago v2018-beta2
12 months ago v2018-beta1
14 months ago v2016.4
20 months ago v2016.3
...
heads
78 min ago release-2019
4 days ago master
6 days ago alexandria
10 days ago release-2018
12 days ago release-2016
2 months ago drude
11 months ago release-5-1
2 years ago qmmm
2 years ago release-5-0
3 years ago release-4-6
3 years ago comp_el_r46
3 years ago forceaverage
4 years ago lambda-fmm
4 years ago help
4 years ago release-4-5-patches
4 years ago mdg4
...
forks
Cached version (2525s old)
 drude   qhop   science 
gromacs/regressiontests.git Gromacs Regressiontests junghans@votca.org 2 weeks ago
gromacs/tng.git junghans@votca.org 8 months ago
gromacs/AngularHB.git trinhlanhoa@gmail.com 12 months ago
gromacs/libxdrfile.git XTC Library junghans@votca.org 3 years ago
gromacs/manual.git Gromacs manual junghans@votca.org 5 years ago
gromacs/rigid-bodies.git adh38@cornell.edu 7 years ago
gromacs/adressmacs.git got merge a long time ago junghans@votca.org 7 years ago
gromacs/qmmm-gamess-us.git Atempt to write QMMM interface for Gamess-US alexxy@omrb.pnpi... 8 years ago