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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.

News

“GROMACS 2024.4 is available.” Read here for an overview of the patch release notes - 1 November 2024

Workshop Learn to code in GROMACS: Material is available online andthe play list here - 16 September 2024

“GROMACS 2024.3 is available.” Read here for an overview of the patch release notes - 2 September 2024

GROMACS User Survey 2024 is online. This year is the Survey is part of a large survey on computational biomolecular research activities. The survey will help the developers to prioritise future GROMACS developments and it should take no longer than 15 minutes to fill out. - 5 August 2024

GROMACS 2024 serie is now available on conda-forge channel - 13 June 2024

GROMACS workshop: Learn to code in GROMACS - 10- 12 September 2024 - Online - Registration is open!. - 12 June 2024

“GROMACS 2024.2 is available.” Read here for an overview of the patch release notes - 10 May 2024

“GROMACS 2023.5 is available.” Read here for an overview of the patch release notes - 5 May 2024

The webinar Enhanced sampling in collective variable space using the Colvars library in GROMACSis now online - 10 April 2024

The webinar GROMACS 2024: new features and improvements is now online - 14 March 2024

“GROMACS 2024.1 is available.” Read here for an overview of the patch release notes - 28 Febraury 2024

Come to listen “GROMACS 2024: new features and improvements” 5th March 2024 at 15:00 CET. Click here to register and know more about the webinar speaker. - 9 Febraury 2024

Lecture and hand-on materials from the workshop “Running GROMACS efficiently on LUMI workshop” are now online. The collaborative document used during the workshop contains links to lecture and hands-on materials. - 9 Febraury 2024

“GROMACS 2024.0 is available.” For an overview of the most recent version see the release highlights and the release notes - 31 January 2024

“GROMACS 2023.4 is available.” Read here for an overview of the patch release notes - 25 January 2024

“GROMACS 2024-candidate is available.” Please download it and test it - thank you - 18 January 2024

Lecture materials from the workshop “Learn to code in GROMACS - Edition 2023” is now online: doi:10.5281/zenodo.10276348 - 14 December 2023

Online Workshop:Running GROMACS efficiently on LUMI workshop 24-25 January 2024 - Registration deadline 20 December 2023 - 5 December 2023

“GROMACS 2024-beta is available.” Please download it and test it - thank you - 20 November 2023

“GROMACS 2023.3 is available.” Read here for an overview of the patch release notes - 19 October 2023

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