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Package: gromacs-dev (4.0.5-5 and others)

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.

Tags: Software Development: C Development, Libraries, Field: Biology, Chemistry, Implemented in: C, Role: Development Library

Other Packages Related to gromacs-dev

  • depends
  • recommends
  • suggests
  • dep: fftw3-dev
    virtual package provided by libfftw3-dev
  • dep: gromacs (= 4.0.4-1) [m68k]
    Molecular dynamics simulator, with building and analysis tools
    dep: gromacs (= 4.0.5-5) [not m68k]
  • rec: gromacs-data
    GROMACS molecular dynamics sim, data and documentation
  • sug: gromacs-lam (= 4.0.4-1) [m68k]
    Transition package to gromacs-openmpi
    or gromacs-mpich (= 4.0.4-1)
    Molecular dynamics sim, binaries for MPICH parallelization
  • sug: gromacs-mpich (= 4.0.5-5) [armel, hppa, mips, mipsel, s390, sparc]
    Molecular dynamics sim, binaries for MPICH parallelization
  • sug: gromacs-mpich (= 4.0.5-5) [alpha, amd64, i386, ia64, kfreebsd-amd64, kfreebsd-i386, powerpc]
    Molecular dynamics sim, binaries for MPICH parallelization
    or gromacs-openmpi (= 4.0.5-5)
    Molecular dynamics sim, binaries for OpenMPI parallelization
  • sug: lam4-dev [m68k]
    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 [m68k]
    mpich static libraries and development files
  • sug: libmpich2-dev [not m68k]
    Development files for MPICH2
  • sug: libsm-dev
    X11 Session Management 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 Version Package Size Installed Size Files
alpha 4.0.5-5 11,183.3 kB43120 kB [list of files]
amd64 4.0.5-5 10,223.7 kB38844 kB [list of files]
armel 4.0.5-5 7,038.7 kB23780 kB [list of files]
hppa 4.0.5-5 7,304.4 kB23448 kB [list of files]
i386 4.0.5-5 8,871.4 kB28600 kB [list of files]
ia64 4.0.5-5 13,545.1 kB67400 kB [list of files]
kfreebsd-amd64 4.0.5-5 9,837.5 kB38870 kB [list of files]
kfreebsd-i386 4.0.5-5 8,497.4 kB28726 kB [list of files]
m68k (unofficial port) 4.0.4-1 7,359.5 kB26080 kB [list of files]
mips 4.0.5-5 7,651.4 kB26016 kB [list of files]
mipsel 4.0.5-5 7,547.1 kB26016 kB [list of files]
powerpc 4.0.5-5 10,301.8 kB35136 kB [list of files]
s390 4.0.5-5 6,136.1 kB18524 kB [list of files]
sparc 4.0.5-5 6,504.0 kB21784 kB [list of files]