[  etch  ] [  etch-m68k  ] [  lenny  ] [  sid  ]
[ Source: gromacs  ]

Package: gromacs (3.3.1-4)

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/gromacs/features/feature-summary.html>.

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: fftw3
    library for computing Fast Fourier Transforms
  • dep: lesstif2
    OSF/Motif 2.1 implementation released under LGPL
  • dep: libc6 (>= 2.3.5-1) [not alpha, i386, ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.3.6-6) [i386]
  • dep: libc6.1 (>= 2.3.5-1) [alpha, ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6.1-udeb
  • dep: libg2c0 (>= 1:3.4.4-5) [alpha]
    Runtime library for GNU Fortran 77 applications
  • dep: libgcc1 (>= 1:4.1.1-12) [alpha]
    GCC support library
  • 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: gromacs-doc
    GROMACS molecular dynamics sim, documentation

Download gromacs

Download for all available architectures
Architecture Package Size Installed Size Files
alpha 4,204.2 kB11624 kB [list of files]
amd64 3,846.2 kB11932 kB [list of files]
arm 3,632.0 kB10696 kB [list of files]
hppa 4,291.0 kB11520 kB [list of files]
i386 3,509.0 kB11600 kB [list of files]
ia64 5,692.9 kB16756 kB [list of files]
mips 4,148.9 kB11948 kB [list of files]
mipsel 4,160.6 kB11948 kB [list of files]
powerpc 3,269.1 kB10456 kB [list of files]
s390 3,700.7 kB10916 kB [list of files]
sparc 3,838.6 kB11144 kB [list of files]