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Package: gromacs-openmpi (4.0.5-5)

Molecular dynamics sim, binaries for OpenMPI parallelization

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.

Tags: Software Development: C Development, Libraries, Field: Biology, Chemistry, Implemented in: C, User Interface: Command Line, Role: Development Library, Program, Scope: Utility, Works with: Packaged Software

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  • dep: libc6.1 (>= 2.7) [ia64]
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  • dep: libfftw3-3
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  • dep: libopenmpi1.3
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  • dep: openmpi-bin (>= 1.2.3)
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  • rec: gromacs
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  • sug: gromacs-data
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Download gromacs-openmpi

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 2,375.8 kB8356 kB [list of files]
i386 2,014.1 kB6780 kB [list of files]
ia64 3,155.6 kB19184 kB [list of files]
powerpc 2,354.2 kB9868 kB [list of files]