RFS: gromacs - molecular dynamics simulator
I'm looking for a sponsorship for this package. It would be much appreciated.
It will close <a
href="http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=228319";>#228319</a>
and <a href="http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=252101";>#252101</a>
wishlist bugs.
Package: gromacs
License: GPL
Description: GROMACS - Molecular Dynamics Simulator
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).
Upstream page: http://www.gromacs.org/
You can get the binary and source packages from here:
deb http://adrianm.tintarojalaplata.com.ar debian/
deb-src http://adrianm.tintarojalaplata.com.ar debian/
Error, suggestions, critics, comments are all welcome! :-)
Regards,
Adrian Mastronardi
amastronardi@gmail.com
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