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gromacs package

gromacs 4.6.5-1build1 source package in Ubuntu

Changelog

gromacs (4.6.5-1build1) trusty; urgency=medium

  * No-change rebuild for libopenmpi1.3 -> libopenmpi1.6 transition.
 -- Logan Rosen <email address hidden>   Sat, 14 Dec 2013 22:57:15 -0500

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Uploaded by:
Logan Rosen
Uploaded to:
Trusty
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Trusty release universe science

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File Size SHA-256 Checksum
gromacs_4.6.5.orig.tar.gz 10.5 MiB a7242f315963a111e87fd28795696b1e818ac97479788356c4f73a04e9cdef09
gromacs_4.6.5-1build1.debian.tar.gz 33.6 KiB 7dab94ec8fd11cea35eed9407f866e5700d98d9c1dd07feebab560af0148b0fb
gromacs_4.6.5-1build1.dsc 2.0 KiB 4cb9f365616a937e53aacedb58d03977c3340bcd20bed29393d65dbfdb179e9d

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Binary packages built by this source

gromacs: Molecular dynamics simulator, with building and analysis tools

 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.
 .
 GROMACS offers entirely too many features for a brief description to do it
 justice. A more complete listing is available at
 <http://www.gromacs.org/content/view/12/176/>.

gromacs-data: No summary available for gromacs-data in ubuntu utopic.

No description available for gromacs-data in ubuntu utopic.

gromacs-dev: GROMACS molecular dynamics sim, development kit

 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 header files and static libraries for development
 purposes, plus sample Makefiles. Development components for MPI-enabled
 GROMACS builds also require their respective packages.

gromacs-mpich: No summary available for gromacs-mpich in ubuntu utopic.

No description available for gromacs-mpich in ubuntu utopic.

gromacs-openmpi: 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.