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[ Source: gromacs  ]

Package: gromacs (4.0.5-4 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 (= 4.0.5-4) [not m68k]
  • dep: libc0.1 (>= 2.3) [kfreebsd-amd64, kfreebsd-i386]
    GNU C könyvtár: megosztott könyvtárak
    also a virtual package provided by libc0.1-udeb
  • dep: libc6 (>= 2.3) [amd64, hppa, mips, mipsel]
    GNU C könyvtár: megosztott könyvtárak
    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 könyvtár: megosztott könyvtárak
    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
    A GNU C előfeldolgozó (cpp)

Download gromacs

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha 4.0.5-4 4,599.9 kB16480 kB [list of files]
amd64 4.0.5-4 4,379.3 kB15608 kB [list of files]
armel 4.0.5-4 4,775.8 kB17096 kB [list of files]
hppa 4.0.5-4 4,311.2 kB17676 kB [list of files]
i386 4.0.5-4 3,731.5 kB12556 kB [list of files]
ia64 4.0.5-4 6,250.3 kB35332 kB [list of files]
kfreebsd-amd64 4.0.5-4 4,378.6 kB15544 kB [list of files]
kfreebsd-i386 4.0.5-4 3,727.1 kB12640 kB [list of files]
m68k (unofficial port) 4.0.4-1 3,808.6 kB12524 kB [list of files]
mips 4.0.5-4 4,204.3 kB20460 kB [list of files]
mipsel 4.0.5-4 4,166.1 kB20460 kB [list of files]
powerpc 4.0.5-4 4,391.7 kB18336 kB [list of files]
s390 4.0.5-4 4,337.4 kB14540 kB [list of files]
sparc 4.0.5-4 4,027.2 kB16292 kB [list of files]