User guideΒΆ

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.

Please reference this documentation as https://doi.org/10.5281/zenodo.3923644.

To cite the source code for this release, please cite https://doi.org/10.5281/zenodo.3923645.