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[ Source: gromacs  ]

Package: gromacs (4.0.5-5)

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 (= 4.0.5-5)
    GROMACS molecular dynamics sim, data and documentation
  • dep: libc6 (>= 2.10) [hppa]
    GNU C könyvtár: megosztott könyvtárak
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.7) [not hppa, ia64]
  • dep: libc6.1 (>= 2.7) [ia64]
    GNU C könyvtár: megosztott könyvtárak
    also a virtual package provided by libc6.1-udeb
  • dep: libfftw3-3
    library for computing Fast Fourier Transforms
  • 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 [amd64, armel, mips, mipsel, powerpc]
    X11 client-side library
    dep: libx11-6 (>= 0) [hppa, i386, ia64, s390, sparc]
  • dep: libxml2 (>= 2.4.30) [mips]
    GNOME XML könyvtár
  • rec: cpp
    A GNU C előfeldolgozó (cpp)

Download gromacs

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 4,401.0 kB15736 kB [list of files]
armel 4,772.7 kB17116 kB [list of files]
hppa 4,305.6 kB17680 kB [list of files]
i386 3,760.1 kB12456 kB [list of files]
ia64 6,254.0 kB35372 kB [list of files]
mips 4,227.6 kB20476 kB [list of files]
mipsel 4,170.2 kB20476 kB [list of files]
powerpc 4,388.9 kB18356 kB [list of files]
s390 4,339.5 kB14560 kB [list of files]
sparc 4,027.6 kB16300 kB [list of files]