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15.0 > Academic > gromacs (2021.6)

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 and is a community-driven project.

It is primarily designed for biochemical molecules like proteins,
lipids and nucleic acids 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 and fluid dynamics.

Optional dependences:
For run-time detection of hardware capabilities set HWLOC=yes. This
requires hwloc.
To enable MPI set PARALLEL=yes. This requires a MPI implementation
either openmpi or mpich.
For enabling CUDA set CUDA=yes. This requires the CUDA SDK.
To enable OpenCL set OPENCL=yes. This requires a OpenCL

Maintained by: William PC
Keywords: molecular,molecule
ChangeLog: gromacs


Source Downloads:
gromacs-2021.6.tar.gz (ed1bdc2a634413dfdd5a7c0be82f6a9d)

Download SlackBuild:
gromacs.tar.gz.asc (FAQ)

(the SlackBuild does not include the source)

Individual Files:

Validated for Slackware 15.0

See our HOWTO for instructions on how to use the contents of this repository.

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