The first CpHMD tutorial was a success!
The first tutorial on constant-pH molecular dynamics (CpHMD) simulations successfully took place at Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU).
Liaison scientist Marius Trollmann, PhD student at the Computational Biology group of Prof. Dr. Rainer Böckmann, organized the two-day course in which seven participants from Spain, Italy, France, and Germany came together in Erlangen. In a relaxed atmosphere, the participants learned how to prepare and run CpHMD using the famous GROMACS engine for atomistic simulations, used broadly at the NHR@FAU.
Next to the tutorial, the participants could discuss their project ideas with the tutors during the course and could obtain direct feedback for their specific projects. The program was framed by a visit to two of the HPC systems, Fritz and Helma, located at the south campus of the FAU, and a social dinner including pizza and pasta, with a subsequent visit at a local pub to enjoy Franconian beer.
A big thank you to Paolo Rossetti for his support during course preparation and co-tutoring, Dr. Johannes Veh for his tour of Fritz and Helma, Anna-Sophie Klinger for the cake, Prof. Dr. Böckmann and Janina Dörflein for the co-organization, and the entire NHR@FAU team!