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Fast, Free and Flexible Molecular Dynamics

GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.

Releases Overview

Release Stable Testing
Fedora Rawhide 2022.3-3.fc38 -
Fedora 37 2022.3-2.fc37 -
Fedora 36 2022.3-2.fc36 -
EPEL 8 2019.6-2.el8 -
EPEL 7 2018.8-1.el7 -
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You can contact the maintainers of this package via email at gromacs dash maintainers at fedoraproject dot org.

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