Hi, GROMACS users!
The beta release of GROMACS 2025 is available!
We are making this available to you to get an early taste of how GROMACS 2025 will look and work, and most importantly to get feedback from you about how well things work. While we try our hardest to keep the quality of GROMACS as high as possible, we’re human, we overlook things while doing other things, and we need your many pairs of eyes to help to build a tool that we can all use to do good science! We really need you to test your kinds of simulation on your hardware, both for correctness and performance. This is particularly important if you are using “interesting” hardware or compilers, because we can’t test all of them!
Please do not use this version for doing science you plan to publish - it needs more testing before it’s reliable enough for that. Similarly, please don’t use this version as a base for a project that bundles or forks GROMACS.
To explore the latest features and updates in detail, we recommend referring to the release notes. Furthermore, detailed information is accessible in the installation guide, user guide, and reference manual.
All the content of GROMACS 2024.4 is present, except for removed features.
If all goes to plan, we hope to ship the final 2025 release at the end of January next year, but that relies on people joining in and helping us to test! We hope you will consider making that contribution, so that we can continue to deliver high-quality free simulation software that will be useful to you.
You can find the code, manual, release notes, installation instructions and test suite at the links below:
Code: Downloads - GROMACS 2025.0-beta documentation
Documentation: GROMACS 2025.0-beta documentation
(includes install guide, user guide, reference manual)
Release Notes: Release notes - GROMACS 2025.0-beta documentation
Test Suite: https://ftp.gromacs.org/regressiontests/regressiontests-2025.0-beta.tar.gz
Happy testing!