description | The ultimate molecular dynamics simulation package |
homepage URL | http://www.gromacs.org |
repository URL | git://git.gromacs.org/gromacs |
owner | junghans@votca.org |
last change | Fri, 11 Dec 2020 14:55:41 +0000 (11 14:55 +0000) |
last refresh | Sat, 12 Dec 2020 11:09:11 +0000 (12 12:09 +0100) |
mirror URL | git://repo.or.cz/gromacs.git |
| https://repo.or.cz/gromacs.git |
| ssh://git@repo.or.cz/gromacs.git |
bundle info | gromacs.git downloadable bundles |
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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.
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