The Princeton Institute for Computational Science and Engineering (PICSciE) is organizing a users meeting for GROMACS, a molecular dynamics simulation package. The purpose of the meeting is to present a set of best practices for working with the code and related tools on the HPC clusters. The meeting is open to all members of the campus research community and PPPL.
Best Practices with GROMACS
Monday, December 16, 2019 at 4:00-5:30 pm
Engineering Quad (G Wing), Eisenhart Room, G-201 (map)
Here is the current speaker list:
- Gül Zerze (Chemical and Biological Engineering) will present an overview of the software and discuss best practices and pitfalls to avoid
- Jonathan Halverson (Research Computing) will cover building and running GROMACS on the HPC clusters including Traverse
- Pablo Piaggi (Chemistry) will discuss the PLUMED plugin
Additional speakers and subjects for discussion are welcome. If you have some knowledge of GROMACS that others may benefit from or if you are encountering issues with the software and seek a solution then please mention these in the RSVP form.
Pizza will be served. If you plan to attend then please RSVP.