Plan for activities on learning to code in GROMACS

We have discussed within a group of core developers the idea to organize activities on learning to code in GROMACS. I will appreciate your feedback on the initiative.
Below I try to summarize the discussed points.

The aim of the activities will be to provide a bridge to better contribute to the developers community of GROMACS. The targets are both new and experience developers (with mentoring role). We think that a background in molecular dynamics simulations and basic knowledge of programming (better in C++) will be a requirement and better if attendees has a clear “plan” (project) to contribute to GROMACS.


  • Software structure and interfaces in GROMACS
  • Use of GROMACS GitLab - version control (including how to do an issue and MR)
  • GROMACS CI and testing
  • Best practice in GROMACS developers community (including expectation, communication channel, update documentation)
  • Soft Skill (software development in teams and communication)

Format: lectures, open discussion, guided hands-on with mentoring.
Period: Spring 2023
Setting: a 2-3 day physical workshop or 4-5 half-day topic-based distance workshops ?

If you think, it will be of interest for the community, please do the poll at the end before 16-12-2022.
Thank you
PS it is the first time I try the poll feature of the forum.

Activities on learning to code in GROMACS: physical or on-line setting ? Give here your preference
  • 2-day physical workshop
  • 4 half/day topic day online workshop
  • no preference

0 voters

If you do not manage to vote above due to permission problem. You can go to the post Plan for activities on learning to code in GROMACS (version 2) and vote there.
Note still log in to the forum is required.

Finally we finalise the workshop “Learn to code in GROMACS”. It will take place 7- 8 September 2023 In Stockholm. The aim is to provide attendees with the basis for coding in GROMACS and contributing to the GROMACS developer community. We will have lectures, Q&A sessions, and hands-on sessions with mentoring covering the following topics:

  • software structure and interface
  • GROMACS GitLab and version control
  • CI and testing
  • best practice in the GMX developer community

See more on GROMACS workshop — GROMACS webpage documentation

Will this session be on zoom too, for those interested?

For this first occasion, we decide to run only in person. we do not exclude online option for the following occasions
Best regards