Welcome to the GROMACS documentation!

Latest releases

SYCL enabled development versions

These versions are in sync with the main 2021 release branch and have experimental support for using SYCL to offload computations to devices. For documentation, please refer to the current release 2021 files.

  • 2021-sycl released February 5th, 2021

Current development branch

This page is linked for the convenience of current GROMACS developers. Normal users should refer to the documentation for their numbered version.

Latest master branch documentation

Releases no longer being maintained

Those branches are no longer maintained, please see here for an explanation.

For older versions, have a look at ftp://ftp.gromacs.org/pub/manual.

Branch maintenance policy

Two versions of GROMACS are under active maintenance, the 2019 series and the 2018 series. In the latter, only highly conservative fixes will be made, and only to address issues that affect scientific correctness. Naturally, some of those releases will be made after the year 2018 ends, but we keep 2018 in the name so users understand how up to date their version is. Such fixes will also be incorporated into the 2019 release series, as appropriate. Around the time the 2020 release is made, the 2018 series will no longer be maintained.