./biology/gromacs, Molecular dynamics package

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Branch: pkgsrc-2010Q2, Version: 4.0.7nb1, Package name: gromacs-4.0.7nb1, 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:
[parallel/mpi-ch] [lang/perl5] [textproc/libxml2] [math/gsl] [math/fftw]

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

Package options: mpi, x11

Master sites:

SHA1: 8519bef2fa989fb487d54612b0a2d0228f228b30
RMD160: 4fa8e5c90f549ef627a98a907a166676692a4c4b
Filesize: 8207.537 KB

Version history: (Expand)