GROMACS workshop ================= Learn to code in GROMACS ------------------------- .. UPDATE: thank you for all the registrations. Now registration is close. We will notify acceptance in mid of August 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: * 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 .. **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 (training@gromacs.org) 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 .. The registration is close. .. Invitations will follow in the next week. .. Note, We will review on a rolling basis to select suitable candidates until the places are filled. .. 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. 2024 Edition ------------ Online - 10-12 September 2024 - from 9:00 CEST to 17:30 CEST .. image:: images/workshop2024.png **Lectures** * GROMACS structure and interface (`Mark Abraham`_), * GROMACS GitLab and version control (`Sebastian Wingbermuehle`_) * Testing and testing infrastructure (`Andrey Alekseenko`_), * Everything around coding (`Berk Hess`_) Panel: `Andrey Alekseenko`_, `Berk Hess`_, `Mark Abraham`_ and `Magnus Lundborg`_ Mentors: `Amr Alhossary `_, `Andrey Alekseenko`_, `Berk Hess`_, `Eliane Briand `_, `Giacomo Fiorin `_, `Hubert Santuz `_, `Lukas Müllender `_, `Mark Abraham`_, `Magnus Lundborg`_, `Michele Pellegrino `_, `Vedran Miletic `_, Lecture materials `doi:10.5281/zenodo.13739992 `_ or go to `play list `_ 2023 Edition ------------ KTH main campus Royal Institute of Technology, Stockholm, Sweden 7-8 September 2023 .. image:: images/workshop_foto2023.jpg **Lectures** * GROMACS structure and interface (`Mark Abraham`_), * GROMACS GitLab and version control (`Sebastian Wingbermuehle`_) * Testing and testing infrastructure (`Andrey Alekseenko`_), * Everything around coding (`Berk Hess`_) Lecture materials `doi:10.5281/zenodo.10276348`_ .. _`Erik Lindahl`: https://www.biophysics.se/index.php/members/erik-lindahl/ .. _`Berk Hess`: https://www.biophysics.se/index.php/members/berk-hess/ .. _`Andrey Alekseenko`: https://www.biophysics.se/index.php/members/andrey-alekseenko/ .. _`Mark Abraham`: https://www.linkedin.com/in/mark-abraham-5a329599 .. _`Magnus Lundborg`: https://www.biophysics.se/index.php/members/magnus-lundborg/ .. _`Sebastian Wingbermuehle`: https://www.biophysics.se/index.php/members/sebastian-wingbermuhle/ .. _`intro course`: https://cms.competency.ebi.ac.uk/learning-pathway/module/unix-shell .. _`Version control with Git`: https://cms.competency.ebi.ac.uk/learning-pathway/version-control-git .. _`GROMACS tutorial`: https://tutorials.gromacs.org/md-intro-tutorial.html .. _`doi:10.5281/zenodo.10276348`: https://zenodo.org/records/10276348