|
Distribution |
Debian stable |
Abteilung |
science |
Quelle |
gromacs |
Version |
3.3.3-2 |
Maintainer |
Debichem Team <debichem-devel@lists.alioth.debian.org>
|
Beschreibung |
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. . This package contains only the core simulation engine with parallel support using the OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
|
Abhängig von | base-files (>= 4.0.1), libc6 (>= 2.7-1), libfftw3-3, libopenmpi1, openmpi-bin (>= 1.2.3) | Recommends | gromacs | Vorgeschlagen | gromacs-data |
Offizielle Seiten |
Paket
Entwicklerinformationen
Bugs (Binärpaket)
Bugs (Quellpaket) |
Download |
amd64 |
|
|
|