./biology/gromacs, Molecular dynamics package

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Branch: pkgsrc-2010Q3, Version: 4.5.1, Package name: gromacs-4.5.1, 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:
[pkgtools/x11-links] [devel/pkg-config] [devel/libtool-base] [parallel/openpa]

Package options: mpi, x11

Master sites:

SHA1: 4352565278e39fb619208950780d8cb0b470a200
RMD160: b28973526859359c84ba5d4fe2a5018b158f932b
Filesize: 10059.029 KB

Version history: (Expand)