User guide

This guide provides

  • material introducing GROMACS

  • practical advice for making effective use of GROMACS.

For getting, building and installing GROMACS, see the Installation guide. For background on algorithms and implementations, see the reference manual part of the documentation. If you have questions not answered by these resources, please visit the GROMACS user discussion forum and search for a potential answer or ask a question from the community.

This is not a release build of GROMACS, so please reference one of the GROMACS papers and the base release of the manual.

This is not a release build of GROMACS. Please reference one of the GROMACS papers, as well as the base release that this version is built from. Also, please state what modifcations have been performed or where the version was sourced from.