Balík: libnblib-gmx-dev (2022.5-2)

[ Zdroj: gromacs  ]

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 legacy GROMACS API, see libgromacs-dev.

Značky: Software Development: Knižnice, Role: Vývojová knižnica

Ostatné balíky súvisiace s balíkom libnblib-gmx-dev

• dep: libnblib-gmx0 (= 2022.5-2)

  GROMACS molecular dynamics sim, NB-LIB shared libraries

• rec: libgromacs-dev (= 2022.5-2)

  GROMACS molecular dynamics sim, development kit

• sug: gromacs (= 2022.5-2)

  Molecular dynamics simulator, with building and analysis tools

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