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[ Source: gromacs  ]

Package: gromacs-openmpi (2018.4-1 and others)

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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, field::chemistry, implemented-in::c, User Interface: Command Line, Role: role::devel-lib, role::program, Scope: Utility, Works with: Packaged Software

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Download gromacs-openmpi

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha (unofficial port) 2018.4-1 4,435.9 kB13,276.0 kB [list of files]
amd64 2018.4-1 7,882.6 kB22,756.0 kB [list of files]
arm64 2018.4-1 5,600.1 kB14,458.0 kB [list of files]
armel 2018.4-1 3,553.7 kB12,744.0 kB [list of files]
armhf 2018.4-1 3,400.0 kB8,500.0 kB [list of files]
hppa (unofficial port) 2018.3-1 4,727.8 kB12,960.0 kB [list of files]
hurd-i386 2018.4-1 6,597.6 kB21,700.0 kB [list of files]
i386 2018.4-1 6,597.9 kB21,712.0 kB [list of files]
kfreebsd-amd64 2018.4-1 7,889.7 kB22,760.0 kB [list of files]
kfreebsd-i386 2018.4-1 6,597.8 kB21,700.0 kB [list of files]
m68k (unofficial port) 2018.4-1 3,152.2 kB13,308.0 kB [list of files]
mips 2018.4-1 4,158.0 kB13,154.0 kB [list of files]
mips64el 2018.4-1 4,059.3 kB13,756.0 kB [list of files]
mipsel 2018.4-1 4,270.3 kB13,318.0 kB [list of files]
powerpcspe (unofficial port) 2018.4-1 4,365.5 kB12,462.0 kB [list of files]
ppc64 (unofficial port) 2018.4-1 4,439.9 kB14,552.0 kB [list of files]
ppc64el 2018.4-1 8,252.0 kB18,586.0 kB [list of files]
s390x 2018.4-1 3,518.9 kB12,764.0 kB [list of files]
sh4 (unofficial port) 2018.4-1 4,990.3 kB11,483.0 kB [list of files]
sparc64 (unofficial port) 2018.4-1 3,731.2 kB12,502.0 kB [list of files]
x32 (unofficial port) 2018.3-1 7,849.6 kB22,396.0 kB [list of files]