GROMACS Course (October 10-12, online)
This course introduces the molecular dynamics engine GROMACS, including fundamental commands and applications. Over three days (October 10-12, 2023, 9 a.m. to 6 p.m), the participants will learn how to prepare and run simulations of biomolecular systems (including, e.g., membranes and proteins) at an atomistic level of resolution in a high performance computing (HPC) environment (GPU-Cluster, Erlangen National High Performance Computing Center – NHR@FAU). Furthermore, the tutorial addresses the post-processing and analysis of the generated simulation trajectories within the context of their biological relevance.
The course is designed primarily for beginners in the field of biomolecular simulations and intermediate users who are not yet familiar with GROMACS in a HPC environment. While prior experience with a Linux-based operating system, particularly BASH, is advantageous, it’s not mandatory. For those in need, we offer a short introductory session on basic BASH commands upon request, scheduled for October 9.
The course will be held online via ZOOM and is organized by the Computational Biology Group at the Biology Department of the Friedrich-Alexander-Universität Erlangen-Nürnberg (https://www.biomemphys.nat.fau.de). To establish a remote desktop connection to the computing node an up-to-date web browser (HTML5-capable, e.g., Firefox, Chrome, Safari) and a fast/stable internet connection is mandatory. No further local software or special operating system is required.
If you are interested in attending the course, send a short note about your background and motivation to rainer.boeckmann@fau.de.