./biology/gromacs, Molecular dynamics package

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Branch: pkgsrc-2010Q4, Version: 4.5.3, Package name: gromacs-4.5.3, Maintainer: pkgsrc-users

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,
lipids and nucleic acids 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.


Required to run:
[lang/perl5] [parallel/mpi-ch]

Required to build:
[parallel/openpa]

Package options: mpi, x11

Master sites:

SHA1: c4845e5e62d1f53ee443301dad00138feba6d275
RMD160: 2bb9cab3c611b93c4323e16b0d171c16cd407bf1
Filesize: 10096.163 KB

Version history: (Expand)