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Distribution |
Debian unstable |
Abteilung |
science |
Quelle |
gromacs |
Version |
4.0.7-2 |
Maintainer |
Debichem Team <debichem-devel@lists.alioth.debian.org>
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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 MPICH (v2) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
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Abhängig von | libc6 (>= 2.7), libfftw3-3, libmpich2-1.2, mpich2 | Recommends | gromacs | Vorgeschlagen | gromacs-data |
Offizielle Seiten |
Paket
Entwicklerinformationen
Bugs (Binärpaket)
Bugs (Quellpaket) |
Download |
amd64 |
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