Paketti: libnblib-dev (2021.4-2) [debports]

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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.

Muut pakettiin libnblib-dev liittyvät paketit

• 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

  tai gromacs-mpi (= 2021.4-2)

  Molecular dynamics sim, binaries for MPI parallelization

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