GROMACS workshop¶
Learn to code in GROMACS¶
7- 8 September 2023 - Royal Institute of Technology, Stockholm, Sweden
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, Q&A sessions, and hands-on sessions with mentoring and covers the following topics:
software structure and interface (Mark Abraham),
GROMACS GitLab and version control (Sebastian Wingbermuehle)
CI and testing (Andrey Alekseenko),
best practice in the GMX developer community (Erik Lindahl, Berk Hess)
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:
Linux commands, bash shell, a quiz and a link to intro course
short guide to version control with Git
GROMACS tutorial on Introduction to Molecular Dynamics
Maximum number attendees: 10 (on site).
- Registration contact GROMACS training (training@gromacs.org) 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
and include a letter of support from a supervisor or colleague
The registration will close 16 June 2023 anywhere on Earth. Invitations will follow in the next week.
After acceptance, the candidates will be requested to forward their hotel or flight booking in order to confirm the place. This helps us ensure that the available places are filled. Further instructions will follow.
