GROMACS workshop

Learn to code in GROMACS - 10-12 September 2024 - Online

The aim of the workshop is to provide attendees with the basis for coding in GROMACS and contributing to the GROMACS developer community. The workshop consists of lectures with Q&A sessions and hands-on sessions with mentoring and covers the following topics:

  • software structure and interface

  • GROMACS GitLab and version control

  • CI and testing

  • best practice in the GMX developer community

All the trainers and mentors belong to the GROMACS team.

Audience: This workshop is aimed at people interested in coding in GROMACS and having previous coding experience

Pre-requisites: a background in molecular dynamics simulations (preferably minimum expertise in using GROMACS), experience in programming (preferably in C++ because that is the language in which GROMACS is written), and basic Linux skills.

Please consult the following materials, if you’re uncertain of your skills:

Where and When Online - 10-12 September 2024 - from 9:00 CEST to 17:30 CEST

Maximum number attendees: 40 attendees for lectures and around 10 attendees for the hands-on session (PS: hands-on attendees depends on the number of mentors)

Registration contact GROMACS training ( before 15 July 2024 explaining briefly:
  • who you are and where you work

  • how you meet the pre-requisites for the course

  • why you want to attend the course

Note, We will review on a rolling basis to select suitable candidates until the places are filled.

2023 Edition

KTH main campus Royal Institute of Technology, Stockholm, Sweden 7-8 September 2023



Lecture materials doi:10.5281/zenodo.10276348