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[ Quellcode: gromacs  ]

Paket: gromacs (3.3.1-4)

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/gromacs/features/feature-summary.html>.

Markierungen: Feld: Biologie, Chemie, Implementiert in: C, Benutzer-Schnittstellen: Kommandozeile, X Window-System, Rolle: Programm, GUI-Baukasten: X-Bibliothek, X Window-System: Anwendung

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  • dep: fftw3
    library for computing Fast Fourier Transforms
  • dep: lesstif2
    Unter LGPL freigegebene OSF/Motif 2.1-Implementation
  • dep: libc6 (>= 2.3.5-1)
    GNU C-Bibliothek: Dynamische Bibliotheken
  • dep: libice6 (>= 1:1.0.0)
    X11 Inter-Client Exchange library
  • dep: libsm6
    X11 Session Management library
  • dep: libx11-6
    X11 client-side library
  • dep: libxext6
    X11 miscellaneous extension library
  • dep: libxp6
    X Printing Extension (Xprint) client library
  • dep: libxt6
    X11 toolkit intrinsics library
  • rec: gromacs-doc
    GROMACS molecular dynamics sim, documentation

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