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.
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
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