descriptionThe ultimate molecular dynamics simulation package
homepage URLhttp://www.gromacs.org
repository URLgit://git.gromacs.org/gromacs
ownerjunghans@votca.org
last changeMon, 29 May 2017 13:30:15 +0000 (29 15:30 +0200)
last refreshMon, 29 May 2017 16:53:11 +0000 (29 18:53 +0200)
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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.
shortlog
3 hours ago Teemu MurtolaRemove pbcutil <-> mdtypes cyclic dependencymaster
4 hours ago Szilárd PállQuotes are cool, typo-free ones are even "cooler"
2 days ago Berk HessMade duplicate atoms in bondeds an error
2 days ago Mark AbrahamQuotes from Gottingen workshop
2 days ago Berk HessImprove Verlet buffer constraint estimate
6 days ago Erik LindahlUpdated cool quotes
6 days ago Berk HessAdd conserved quantity for Berendsen P-couple
6 days ago Szilárd PállAdd basic doxygen for the Verlet nonbonded module
6 days ago Berk HessAdd conserved q. for PR and Berendsen T-couple
6 days ago Berk HessMake DD setup obey PME restrictions
7 days ago Roland SchulzRemove TMPI_ATOMICS from config.h
7 days ago Berk HessIntroduce ObservablesHistory container
13 days ago Berk HessFix confout.gro with energy minimization
2017-05-15 Mark AbrahamUpdated use of compiler specifiers in testing
2017-05-15 Mark AbrahamUpdate clang static analyzer slave to use version 4
2017-05-14 Mark AbrahamUpdate clang-4
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tags
2 months ago v2016.3
3 months ago v2016.2
7 months ago v2016.1
8 months ago v5.1.4
9 months ago v2016
10 months ago v5.1.3
10 months ago v2016-rc1
11 months ago v2016-beta2
12 months ago v2016-beta1
15 months ago v5.1.2
18 months ago v5.1.1
19 months ago v5.0.7
21 months ago v5.1
22 months ago v5.0.6
22 months ago v5.1-rc1
2 years ago v5.0.5
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heads
3 hours ago master
3 hours ago release-2016
9 days ago alexandria
3 months ago release-5-1
4 months ago drude
7 months ago qmmm
14 months ago release-5-0
19 months ago release-4-6
20 months ago comp_el_r46
23 months ago forceaverage
2 years ago lambda-fmm
2 years ago help
3 years ago release-4-5-patches
3 years ago mdg4
3 years ago release-4-5-localpressure
4 years ago release-4-5-patches-merge-manual
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Cached version (2135s old)
 drude   qhop   science 
gromacs/regressiontests.git Gromacs Regressiontests junghans@votca.org 2 days ago
gromacs/tng.git junghans@votca.org 5 months ago
gromacs/libxdrfile.git XTC Library junghans@votca.org 2 years ago
gromacs/manual.git Gromacs manual junghans@votca.org 3 years ago
gromacs/rigid-bodies.git adh38@cornell.edu 6 years ago
gromacs/adressmacs.git got merge a long time ago junghans@votca.org 6 years ago
gromacs/qmmm-gamess-us.git Atempt to write QMMM interface for Gamess-US alexxy@omrb.pnpi... 6 years ago