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Package: gromacs (2021.4-2)

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.

Other Packages Related to gromacs

  • depends
  • recommends
  • suggests
  • dep: gromacs-data (= 2021.4-2)
    GROMACS molecular dynamics sim, data and documentation
  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
  • dep: libgcc-s1 (>= 3.3.1)
    GCC support library
  • dep: libgromacs6 (>= 2021.4)
    GROMACS molecular dynamics sim, shared libraries
  • dep: libstdc++6 (>= 11)
    GNU Standard C++ Library v3
  • dep: libx11-6
    X11 client-side library
  • rec: cpp
    GNU C preprocessor (cpp)
  • sug: pymol
    Molecular Graphics System

Download gromacs

Download for all available architectures
Architecture Package Size Installed Size Files
ppc64el 141.8 kB606 kB [list of files]