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[ Source: gromacs  ]

Package: gromacs (3.3.3-2) [universe]

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Molecular dynamics simulator, with building and analysis tools

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/content/view/12/176/>.

Other Packages Related to gromacs

  • depends
  • recommends
  • suggests
  • dep: base-files (>= 4.0.1)
    Debian base system miscellaneous files
  • dep: gromacs-data (= 3.3.3-2)
    GROMACS molecular dynamics sim, data and documentation
  • dep: lesstif2
    OSF/Motif 2.1 implementation released under LGPL
  • dep: libc6 (>= 2.7-1)
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
  • dep: libfftw3-3
    library for computing Fast Fourier Transforms
  • dep: libice6 (>= 1:1.0.0)
    X11 Inter-Client Exchange library
  • dep: libsm6
    X11 Session Management library
  • dep: libx11-6
    X11 client-side library
  • dep: libxext6
    X11 miscellaneous extension library
  • dep: libxp6
    X Printing Extension (Xprint) client library
  • dep: libxt6
    X11 toolkit intrinsics library
  • rec: cpp
    The GNU C preprocessor (cpp)

Download gromacs

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 3,928.8 kB13,980.0 kB [list of files]
i386 3,392.6 kB11,412.0 kB [list of files]