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Package: gromacs-mpich (4.0.5-5 and others)

Molecular dynamics sim, binaries for MPICH parallelization

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.

This package contains only the core simulation engine with parallel support using the MPICH (v2) interface. It is suitable for nodes of a processing cluster, or for multiprocessor machines.

Tags: Software Development: C Development, Libraries, Field: Biology, Chemistry, Implemented in: C, User Interface: Command Line, Role: Development Library, Program, Scope: Utility, Works with: Packaged Software

Other Packages Related to gromacs-mpich

  • depends
  • recommends
  • suggests
  • dep: libc0.1 (>= 2.7) [kfreebsd-amd64, kfreebsd-i386]
    GNU C Library: Shared libraries
    also a virtual package provided by libc0.1-udeb
  • dep: libc6 (>= 2.10) [hppa]
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
    dep: libc6 (>= 2.5-5) [m68k]
    dep: libc6 (>= 2.7) [not alpha, hppa, ia64, kfreebsd-amd64, kfreebsd-i386, m68k]
  • dep: libc6.1 (>= 2.7) [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 (>= 4.3) [alpha]
    Runtime library for GNU Fortran applications
  • dep: libmpich2-1.2 [not m68k]
    Shared libraries for MPICH2
  • dep: libxml2 (>= 2.4.30) [mips]
    GNOME XML library
  • dep: mpich-bin [m68k]
    MPI parallel computing system implementation
  • dep: mpich2 [not m68k]
    Implementation of the MPI Message Passing Interface standard
  • rec: gromacs
    Molecular dynamics simulator, with building and analysis tools
  • sug: gromacs-data
    GROMACS molecular dynamics sim, data and documentation

Download gromacs-mpich

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha 4.0.5-5 2,757.8 kB5356 kB [list of files]
amd64 4.0.5-5 2,514.6 kB5920 kB [list of files]
armel 4.0.5-5 2,726.3 kB5596 kB [list of files]
hppa 4.0.5-5 2,596.2 kB4940 kB [list of files]
i386 4.0.5-5 2,282.3 kB5360 kB [list of files]
ia64 4.0.5-5 3,471.2 kB9320 kB [list of files]
kfreebsd-amd64 4.0.5-5 2,495.0 kB5962 kB [list of files]
kfreebsd-i386 4.0.5-5 2,262.9 kB5402 kB [list of files]
m68k (unofficial port) 4.0.4-1 2,210.3 kB7024 kB [list of files]
mips 4.0.5-5 2,747.7 kB5464 kB [list of files]
mipsel 4.0.5-5 2,723.9 kB5468 kB [list of files]
powerpc 4.0.5-5 3,001.8 kB5708 kB [list of files]
s390 4.0.5-5 2,407.1 kB4688 kB [list of files]
sparc 4.0.5-5 2,366.4 kB4852 kB [list of files]