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Paquet : libnblib-dev (2021.4-2)

GROMACS molecular dynamics sim, NB-LIB development kit

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.

The goal of NB-LIB is to enable researchers to programmatically define molecular simulations. Traditionally these have been performed using a collection of executables and a manual workflow followed by a “black-box” simulation engine. NB-LIB allows users to script a variety of novel simulation and analysis workflows at a more granular level.

This package contains header files for NB-LIB. For the classical GROMACS API, see libgromacs-dev.

Autres paquets associés à libnblib-dev

  • dépendances
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  • dep: libnblib0 (= 2021.4-2)
    GROMACS molecular dynamics sim, NB-LIB shared libraries
  • rec: libgromacs-dev (= 2021.4-2)
    GROMACS molecular dynamics sim, development kit
  • sug: gromacs (= 2021.4-2)
    Molecular dynamics simulator, with building and analysis tools
    ou gromacs-mpi (= 2021.4-2)
    Molecular dynamics sim, binaries for MPI parallelization

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