Welcome to GROMACS

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



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

Come to listen “What is new in GROMACS 2023” 25th April 2023 at 15:00 CET. Click here to register and know more about the webinar speakers.

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

“GROMACS 2023 is available.” For an overview of the most recent version see the release notes - 6 Febraury 2023