Welcome to GROMACS

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

New to GROMACS:

GROMACS 2022 is out

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

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

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