Package: gromacs-mpich (4.0.7-1) [universe]
Links for gromacs-mpich
Download Source Package gromacs:
Original Maintainers (usually from Debian):
- Debichem Team (Mail Archive)
- Nicholas Breen
It should generally not be necessary for users to contact the original maintainer.
- Homepage [www.gromacs.org]
Molecular dynamics sim, binaries for MPICH parallelization
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 (v2) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.
Other Packages Related to gromacs-mpich
- dep: libfftw3-3
- library for computing Fast Fourier Transforms
- dep: libmpich2-1.2
- Shared libraries for MPICH2
- dep: mpich2
- Implementation of the MPI Message Passing Interface standard
- rec: gromacs
- Molecular dynamics simulator, with building and analysis tools
- sug: gromacs-data
- GROMACS molecular dynamics sim, data and documentation