descriptionThe ultimate molecular dynamics simulation package
homepage URLhttp://www.gromacs.org
repository URLgit://git.gromacs.org/gromacs
ownerjunghans@votca.org
last changeTue, 26 Sep 2017 10:59:33 +0000 (26 12:59 +0200)
last refreshTue, 26 Sep 2017 18:01:31 +0000 (26 20:01 +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
7 hours ago Aleksei IupinovMove CUDA texture setup code from NB CUDA module to... master
10 hours ago Szilárd PállRename GPU launch/wait cycle counters
24 hours ago Berk HessPut rerun state preparation in a function
24 hours ago Berk HessSet global state on master rank only
4 days ago Aleksei IupinovTemplate the CUDA texture setup code on raw value type T
5 days ago Aleksei IupinovEliminate unused Coulomb correction table size coulomb_...
5 days ago Aleksei IupinovEliminate duplicate CUDA texture setup code
5 days ago Berk HessChange nbnxn indexing to templates
7 days ago Roland SchulzICC: Disable include path warning
7 days ago Mark AbrahamUpdate testing matrices to test with (latest) icc-18
7 days ago Aleksei IupinovSkip GPU reallocation of an empty non-local pairlist
8 days ago Szilárd PállMinor refactoring of CUDA non-bonded kernels
8 days ago Mark AbrahamMerge branch release-2016
10 days ago Berk HessRemove nb-parameters from t_forcerec
10 days ago Mark AbrahamExpress intent of matrix release build types explicitly
11 days ago Mark AbrahamBumped patch version for next release
...
tags
11 days ago v2016.4
6 months ago v2016.3
7 months ago v2016.2
10 months ago v2016.1
12 months ago v5.1.4
13 months ago v2016
14 months ago v5.1.3
14 months ago v2016-rc1
15 months ago v2016-beta2
16 months ago v2016-beta1
19 months ago v5.1.2
22 months ago v5.1.1
23 months ago v5.0.7
2 years ago v5.1
2 years ago v5.0.6
2 years ago v5.1-rc1
...
heads
3 hours ago alexandria
7 hours ago master
3 days ago release-2016
4 weeks ago release-5-1
8 months ago drude
10 months ago qmmm
18 months ago release-5-0
23 months ago release-4-6
23 months 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
3 years ago release-4-5-localpressure
4 years ago release-4-5-patches-merge-manual
...
forks
Cached version (2630s old)
 drude   qhop   science 
gromacs/tng.git junghans@votca.org 6 days ago
gromacs/regressiontests.git Gromacs Regressiontests junghans@votca.org 3 weeks 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... 7 years ago