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[ Source: gromacs  ]

Package: gromacs-dev (3.3.3-2) [universe]

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GROMACS molecular dynamics sim, development kit

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 header files and static libraries for development purposes, plus sample Makefiles. Development components for MPI-enabled builds are contained within the gromacs-mpich and gromacs-lam packages.

Other Packages Related to gromacs-dev

  • depends
  • recommends
  • suggests
  • dep: fftw3-dev
    virtual package provided by libfftw3-dev
  • dep: gromacs (= 3.3.3-2)
    Molecular dynamics simulator, with building and analysis tools
  • rec: gromacs-data
    GROMACS molecular dynamics sim, data and documentation
  • sug: gromacs-lam (= 3.3.3-2)
    Molecular dynamics sim, binaries for LAM-MPI parallelization
    or gromacs-mpich (= 3.3.3-2)
    Molecular dynamics sim, binaries for MPICH parallelization
    or gromacs-openmpi (= 3.3.3-2)
    Molecular dynamics sim, binaries for OpenMPI parallelization
  • sug: lam4-dev
    Development of parallel programs using LAM
  • sug: lesstif2-dev
    development library and header files for LessTif 2.1
  • sug: libice-dev
    X11 Inter-Client Exchange library (development headers)
  • sug: libmpich1.0-dev
    mpich static libraries and development files
  • sug: libsm-dev
    X11 Inter-Client Exchange library (development headers)
  • sug: libx11-dev
    X11 client-side library (development headers)
  • sug: libxext-dev
    X11 miscellaneous extensions library (development headers)
  • sug: libxp-dev
    X Printing Extension (Xprint) client library (development files)
  • sug: libxt-dev
    X11 toolkit intrinsics library (development headers)
  • sug: zlib1g-dev
    compression library - development

Download gromacs-dev

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 10,377.3 kB45,280.0 kB [list of files]
i386 8,995.4 kB33,748.0 kB [list of files]