./biology/gromacs, Molecular dynamics package

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Branch: pkgsrc-2011Q1, Version: 4.5.4, Package name: gromacs-4.5.4, 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/gsl] [math/fftw] [textproc/libxml2]

Required to build:
[pkgtools/x11-links]

Package options: mpi, x11

Master sites:

SHA1: c7b3fbd2f3ddf915bc082e7effe76a8276563726
RMD160: 96065d1a173231f75869764a08eb4feccc1ec597
Filesize: 10111.313 KB

Version history: (Expand)