Paketti: libgromacs-dev (2025.0~beta-1)

[ Source: gromacs  ]

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GROMACS molecular dynamics sim, 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.

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.

This package contains header files and static libraries for development purposes, plus sample Makefiles. Development components for MPI-enabled GROMACS builds also require their respective packages.

Tagit: Software Development: Kirjastot, Role: Development Library

Muut pakettiin libgromacs-dev liittyvät paketit

• dep: libfftw3-dev

  Library for computing Fast Fourier Transforms - development

• dep: libgromacs10 (= 2025.0~beta-1)

  GROMACS molecular dynamics sim, shared libraries

• rec: gromacs-data

  GROMACS molecular dynamics sim, data and documentation

• sug: mpi-default-bin

  Standard MPI runtime programs (metapackage)

• sug: mpi-default-dev

  Standard MPI development files (metapackage)

• sug: zlib1g-dev

  compression library - development

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