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: [EMAIL PROTECTED], [EMAIL PROTECTED] (ignored: LC_ALL set to [EMAIL PROTECTED])
