descriptionThe ultimate molecular dynamics simulation package
homepage URLhttp://www.gromacs.org
repository URLgit://git.gromacs.org/gromacs
ownerjunghans@votca.org
last changeFri, 22 Jun 2018 21:22:43 +0000 (22 23:22 +0200)
last refreshSat, 23 Jun 2018 00:29:38 +0000 (23 02:29 +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 Mark AbrahamUpdate energy and trajectory frame typesmaster
8 days ago Kevin BoydChanged documentation on common errors during minimization
8 days ago Berk HessMinimization now detects infinite forces
8 days ago Aleksei IupinovEnsure PME with OpenCL does not attempt to pin
8 days ago Berk HessIntroduced DDAtomRanges class
9 days ago Mark AbrahamCall Constraints::setConstraints with other setup code
9 days ago Berk HessRemove LINCS prints to log file
9 days ago Mark AbrahamUse initializer lists for Lincs and Task
9 days ago Mark AbrahamUse more containers and views for constraints code
9 days ago Berk HessPartial conversion of gmx_domdec_t to C++
9 days ago Mark AbrahamBump lmfit support to version 7
10 days ago Mark AbrahamPrepare for GROMACS 2019 release notes
10 days ago David van der... Let gmx nmeig print thermochemistry.
2018-06-07 Paul BauerChange use of t_inpfile to std::vector
2018-06-07 Paul BauerRemove macros in input file reading
2018-06-07 Aleksei IupinovCompile most of PME GPU host code with OpenCL
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tags
8 days ago v2018.2
3 months ago v2018.1
4 months ago v2016.5
5 months ago v2018
5 months ago v2018-rc1
6 months ago v5.1.5
6 months ago v2018-beta3
6 months ago v2018-beta2
6 months ago v2018-beta1
9 months ago v2016.4
15 months ago v2016.3
16 months ago v2016.2
19 months ago v2016.1
21 months ago v5.1.4
22 months ago v2016
23 months ago v5.1.3
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heads
3 hours ago master
3 days ago alexandria
8 days ago release-2018
3 months ago release-2016
4 months ago drude
5 months ago release-5-1
19 months ago qmmm
2 years 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
4 years ago release-4-5-patches
4 years ago mdg4
4 years ago release-4-5-localpressure
...
forks
Cached version (577s old)
 drude   qhop   science 
gromacs/regressiontests.git Gromacs Regressiontests junghans@votca.org 10 days ago
gromacs/tng.git junghans@votca.org 2 months ago
gromacs/AngularHB.git trinhlanhoa@gmail.com 7 months ago
gromacs/libxdrfile.git XTC Library junghans@votca.org 3 years ago
gromacs/manual.git Gromacs manual junghans@votca.org 4 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