./biology/gromacs, Molecular dynamics package

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Branch: pkgsrc-2012Q3, Version: 4.5.5nb1, Package name: gromacs-4.5.5nb1, 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:
[math/fftw] [math/gsl] [parallel/mpi-ch] [textproc/libxml2] [lang/perl5]

Required to build:
[pkgtools/x11-links] [devel/libtool-base] [devel/pkg-config] [parallel/openpa]

Package options: mpi, x11

Master sites:

SHA1: ce4b4f9a0453dd2ffea72f28ea0bc7bb7a72f479
RMD160: a3d40c3ac6ec9ee3e4607bd35afca1dd4715154e
Filesize: 10154.471 KB

Version history: (Expand)