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

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