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Distribution |
Debian stable |
Abteilung |
science |
Quelle |
gromacs |
Version |
3.3.3-2 |
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 architecture-independent topology and force field data, documentation, man pages, and example files.
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