descriptionThe ultimate molecular dynamics simulation package
homepage URLhttp://www.gromacs.org
repository URLgit://git.gromacs.org/gromacs
ownerjunghans@votca.org
last changeWed, 22 Nov 2017 15:36:18 +0000 (22 16:36 +0100)
last refreshWed, 22 Nov 2017 17:13:24 +0000 (22 18:13 +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
2 hours ago Pascal MerzProof of concept: Physical validation suitemaster
8 hours ago Viveca LindahlFixed typo and adds corrects units in the friction...
9 hours ago Viveca LindahlAdded friction tensor to AWH manual section
29 hours ago Mark AbrahamUse much less PaddedRVecVector and more ArrayRef of...
31 hours ago Aleksei IupinovFix CUDA release build warning
35 hours ago Aleksei IupinovFix pinned memory status checker tests
35 hours ago Erik LindahlSeparate SIMD flag detection from management
35 hours ago Mark AbrahamSupport pinning in HostAllocator
36 hours ago Viveca LindahlAdd force correlation to AWH module
37 hours ago Paul BauerFirst general additions to the documentation
2 days ago Viveca LindahlAdd reading and writing to AWH module
2 days ago Berk HessPrevent PME tuning excessive grid scaling
2 days ago Mark AbrahamFix nightly matrix config
2 days ago Berk HessAdd SIMD for AWH
2 days ago Viveca LindahlAdd AWH section to manual.
2 days ago Viveca LindahlAdd AWH biasing module + tests
...
tags
2 months ago v2016.4
8 months ago v2016.3
9 months ago v2016.2
12 months ago v2016.1
14 months ago v5.1.4
15 months ago v2016
16 months ago v5.1.3
16 months ago v2016-rc1
17 months ago v2016-beta2
18 months ago v2016-beta1
21 months ago v5.1.2
2 years ago v5.1.1
2 years ago v5.0.7
2 years ago v5.1
2 years ago v5.0.6
2 years ago v5.1-rc1
...
heads
2 hours ago master
8 hours ago alexandria
12 days ago release-2016
2 months ago release-5-1
10 months ago drude
12 months ago qmmm
20 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
3 years ago mdg4
4 years ago release-4-5-localpressure
4 years ago release-4-5-patches-merge-manual
...
forks
Cached version (2508s old)
 drude   qhop   science 
gromacs/AngularHB.git trinhlanhoa@gmail.com 9 days ago
gromacs/regressiontests.git Gromacs Regressiontests junghans@votca.org 2 weeks ago
gromacs/tng.git junghans@votca.org 4 weeks ago
gromacs/libxdrfile.git XTC Library junghans@votca.org 2 years ago
gromacs/manual.git Gromacs manual junghans@votca.org 4 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... 7 years ago