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[ Source: gromacs  ]

Package: gromacs-openmpi (4.0.7-1) [universe]

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Molecular dynamics sim, binaries for OpenMPI 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 OpenMPI interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

Other Packages Related to gromacs-openmpi

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.7)
    Embedded GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
  • dep: libfftw3-3
    library for computing Fast Fourier Transforms
  • dep: libopenmpi1.3
    high performance message passing library -- shared library
  • dep: openmpi-bin (>= 1.2.3)
    high performance message passing library -- binaries
  • rec: gromacs
    Molecular dynamics simulator, with building and analysis tools
  • sug: gromacs-data
    GROMACS molecular dynamics sim, data and documentation

Download gromacs-openmpi

Download for all available architectures
Architecture Package Size Installed Size Files
i386 1,919.1 kB6,708.0 kB [list of files]