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

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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

GROMACS polls aim to understand if a feature or a tool has zero users or not. Any feature takes efforts during general refactoring. When it is unused and untested, it might end up broken for many releases causing a damage in the faith in the project. For this reason is important to let developers know if a tool/feature is used. Fill the poll on GROMACS analysis tools 3 October 2023

Interesed in alchemical transformation using AWH, try the tutorial on solvation free energy using AWH or in performing a membrane-protein simulation, check the tutorial introduction to membrane-protein simulation -27 July 2023

GROMACS 2023 series is available on conda-forge channel - 26 July 2023

“GROMACS 2023.2 is available.” Read here for an overview of the patch release notes - 12 July 2023

“GROMACS 2022.6 is available.” Read here for an overview of the patch release notes - 11 July 2023

GROMACS workshop: Learn to code in GROMACS - 7- 8 September 2023 - Royal Institute of Technology, Stockholm, Sweden - Registration is open!. - 25 May 2023

GROMACS survey 2023 is on-line. Help the development team to prioritise upcoming features,fill the User Survey. Deadline 6 June 2023 Thank you - 12 May 2023

“GROMACS 2023.1 is available.” Read here for an overview of the patch release notes - 21 April 2023

Read the post on CUDA Graphs in GROMACS 2023 by Alan Gray and Szilárd Páll - 14 April 2023

Read more on Heterogeneous parallelization and GPU acceleration in GROMACS - 28 March 2023

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