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[ Source: gromacs  ]

Package: gromacs (3.3.3-2 and others)

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/>.

Tags: Field: Biology, Chemistry, Implemented in: C, User Interface: Command Line, X Window System, Role: Program, Interface Toolkit: X library, X Window System: Application

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) [not m68k]
    GROMACS molecular dynamics sim, data and documentation
  • dep: lesstif2
    OSF/Motif 2.1 implementation released under LGPL
  • dep: libc0.1 (>= 2.7-1) [kfreebsd-amd64, kfreebsd-i386]
    GNU C Library: Shared libraries
    also a virtual package provided by libc0.1-udeb
  • dep: libc6 (>= 2.5-5) [m68k]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.7-1) [not alpha, ia64, kfreebsd-amd64, kfreebsd-i386, m68k]
  • dep: libc6.1 (>= 2.7-1) [alpha, ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6.1-udeb
  • dep: libfftw3-3
    library for computing Fast Fourier Transforms
  • dep: libgfortran3 [alpha]
    Runtime library for GNU Fortran applications
  • 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)
  • rec: gromacs-doc [m68k]
    Package not available

Download gromacs

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha 3.3.3-2 7,219.6 kB13844 kB [list of files]
amd64 3.3.3-2 6,389.2 kB14660 kB [list of files]
arm 3.3.3-2 6,100.3 kB12152 kB [list of files]
armel 3.3.3-2 4,339.4 kB14964 kB [list of files]
hppa 3.3.3-2 7,340.7 kB13188 kB [list of files]
i386 3.3.3-2 5,529.8 kB13840 kB [list of files]
ia64 3.3.3-2 10,306.6 kB24512 kB [list of files]
kfreebsd-amd64 (unofficial port) 3.3.3-2 6,343.7 kB14472 kB [list of files]
kfreebsd-i386 (unofficial port) 3.3.3-2 5,283.1 kB13276 kB [list of files]
m68k 3.3.2-2 5,789.6 kB16856 kB [list of files]
mips 3.3.3-2 7,422.0 kB15016 kB [list of files]
mipsel 3.3.3-2 7,398.4 kB14976 kB [list of files]
powerpc 3.3.3-2 5,017.3 kB11644 kB [list of files]
s390 3.3.3-2 6,163.3 kB12520 kB [list of files]
sparc 3.3.3-2 6,577.6 kB13416 kB [list of files]