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gromacs-openmpi: Molecular dynamics sim, binaries for OpenMPI parallelization

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 vonbase-files (>= 4.0.1), libc6 (>= 2.7-1), libfftw3-3, libopenmpi1, openmpi-bin (>= 1.2.3)
Recommendsgromacs
Vorgeschlagengromacs-data
Offizielle Seiten Paket Entwicklerinformationen Bugs (Binärpaket) Bugs (Quellpaket)
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