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gromacs

gromacs Molecular dynamics simulator, with building and analysis tools
Priority
Sectionscience
Installed size 11600
Maintainer Nicholas Breen <nbreen@ofb.net>
Architecture i386
Version 3.3.1-4
Depends fftw3, lesstif2, libc6 (>= 2.3.6-6), libice6 (>= 1
Suggests groff
File name pool/main/g/gromacs/gromacs_3.3.1-4_i386.deb
Description 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 offers entirely too many features for a brief description to do it justice. A more complete listing is available at http://www.gromacs.org/gromacs/features/feature-summary.html.


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