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Pakiet: gromacs (2020.1-1)

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.

Inne pakiety związane z gromacs

  • wymaga
  • poleca
  • sugeruje
  • dep: gromacs-data (= 2020.1-1)
    GROMACS molecular dynamics sim, data and documentation
  • dep: libc6 (>= 2.7)
    GNU C Library: Shared libraries
    również pakiet wirtualny udostępniany przez libc6-udeb
  • dep: libgcc-s1 (>= 3.5)
    GCC support library
  • dep: libgromacs5 (>= 2020.1)
    GROMACS molecular dynamics sim, shared libraries
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libx11-6
    X11 client-side library
  • dep: neon-support
    prevent installation on processors without required instructions
  • rec: cpp
    GNU C preprocessor (cpp)
  • sug: pymol
    Molecular Graphics System

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