Bug#228319: RFP: gromacs -- world's fastes molecular dynamics

[Andreas Tille <tillea@rki.de>]

Package: wnpp
Severity: wishlist

* Package name    : gromacs
  Version         : 3.1.4
  Upstream Author : Several people (see http://www.gromacs.org/people/index.php)
* URL             : http://www.gromacs.org/
* License         : GPL
  Description     : world's fastes molecular dynamics

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
and lipids 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.

GROMACS supports all the usual algorithms you expect from a modern
molecular dynamics implementation, (check the online reference or
manual for details).

-- System Information:
Debian Release: testing/unstable
Architecture: i386
Kernel: Linux wr-linux02 2.4.22 #1 Mi Nov 19 08:37:40 CET 2003 i686
Locale: LANG=de_DE@euro, LC_CTYPE=de_DE@euro (ignored: LC_ALL set to de_DE@euro)