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[ Source: gromacs  ]

Package: gromacs (4.0.5-3 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, Structural 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: gromacs-data (= 4.0.4-1) [m68k]
    GROMACS molecular dynamics sim, data and documentation
    dep: gromacs-data (= 4.0.5-3) [not m68k]
  • dep: libc0.1 (>= 2.3) [kfreebsd-i386]
    GNU C Library: Shared libraries
    also a virtual package provided by libc0.1-udeb
  • dep: libc6 (>= 2.3) [amd64, hppa, mips, mipsel]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.3.6-6~) [i386]
    dep: libc6 (>= 2.4) [armel, powerpc, s390]
    dep: libc6 (>= 2.5-5) [m68k]
    dep: libc6 (>= 2.6) [sparc]
  • dep: libc6.1 (>= 2.3) [ia64]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6.1-udeb
    dep: libc6.1 (>= 2.4) [alpha]
  • dep: libfftw3-3
    library for computing Fast Fourier Transforms
  • dep: libgfortran3 (>= 4.3) [alpha]
    Runtime library for GNU Fortran applications
  • dep: libgsl0ldbl (>= 1.9)
    GNU Scientific Library (GSL) -- library package
  • dep: libice6 (>= 1:1.0.0)
    X11 Inter-Client Exchange library
  • dep: libsm6
    X11 Session Management library
  • dep: libx11-6
    X11 client-side library
  • rec: cpp
    The GNU C preprocessor (cpp)

Download gromacs

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha 4.0.5-3 4,598.6 kB16512 kB [list of files]
amd64 4.0.5-3 4,424.0 kB15776 kB [list of files]
armel 4.0.5-3 4,778.4 kB17104 kB [list of files]
hppa 4.0.5-3 4,309.6 kB17676 kB [list of files]
i386 4.0.5-3 3,755.8 kB12564 kB [list of files]
ia64 4.0.5-3 6,251.5 kB35404 kB [list of files]
kfreebsd-i386 4.0.5-3 3,724.5 kB12652 kB [list of files]
m68k (unofficial port) 4.0.4-1 3,808.6 kB12524 kB [list of files]
mips 4.0.5-3 4,201.0 kB20464 kB [list of files]
mipsel 4.0.5-3 4,164.9 kB20464 kB [list of files]
powerpc 4.0.5-3 4,389.1 kB18340 kB [list of files]
s390 4.0.5-3 4,337.6 kB14540 kB [list of files]
sparc 4.0.5-3 4,054.0 kB16308 kB [list of files]