Welcome to GROMACS

A free and open-source software suite for high-performance molecular dynamics and output analysis.

New to GROMACS:

• Try the introduction tutorial.

• Watch the GROMACS webinar

• Download the current GROMACS version here.

• Have a look at documentation page to know more how to install and use GROMACS.

• Do you have any questions, have a look at the user discussions on GROMACS forums.

GROMACS 2022 is out

Highlight: Hybrid Quantum-Classical simulations (QM/MM) with CP2K interface

For an overview of the most recent version see the release notes or watch the webinar What’s new in GROMACS 2022.