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gromacs-mpich

gromacs-mpich Molecular dynamics sim, binaries for MPICH parallelization
Priority
Sectionscience
Installed size 4084
Maintainer Nicholas Breen <nbreen@ofb.net>
Architecture i386
Version 3.3.1-4
Depends fftw3, libc6 (>= 2.3.6-6), mpich-bin
Suggests gromacs-doc
File name pool/main/g/gromacs/gromacs-mpich_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. . This package contains only the core simulation engine with parallel support using the MPICH interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.


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