Registration for this event is closed
We are pleased to announce the first workshop resulting from our Ambassador Program, jointly organised with and supported by our colleagues at the National Competence Centres in Slovakia, Czechia, Austria and Hungary. The hands-on 1.5-day workshop will be a hybrid (on-site/online) event and will focus on GROMACS, e.g. its basic usage, deployment on GPU-accelerated modules and provide an introduction to HADDOCK usage.
Date: 18 – 19 October 2023
Venue: Bratislava, Slovakia
Participation: Open application with a selection. 25 applicants will be selected for on-site participation. Applicants from Slovakia, Czechia, Austria and Hungary will be prioritised for on-site participation. We can only accept participants from EuroHPC Joint Undertaking member institutions.
Registration fee: free
Program:
| Time (CEST) | Topic |
| Day 1 – Wednesday 18 October 2023 | |
| 09:00 – 10:30 | Introduction to molecular dynamics simulations and GROMACS |
| 10:30 – 11:00 | Break |
| 11:00 – 12:45 | GROMACS tutorial: Introduction to MD |
| 12:45 – 13:45 | Lunch |
| 13:45 – 14:45 | Running GROMACS on CPU and GPU |
| 14:45 – 15:15 | Break |
| 15:15 – 16:30 | Hands-on |
Trainers: Alessandra Villa, Catherine Bergh and Farzaneh Jalalypour
| Time (CEST) | Topic |
| Day 2 – Thursday 19 October 2023 | |
| 09:00 – 10:30 | Integrative modelling with HADDOCK |
| 10:30 – 11:00 | Break |
| 11:00 – 12:45 | HADDOCK tutorial |
| 12:45 – 13:45 | Lunch |
Trainers: Rodrigo Vargas, Alexander Bonvin, Marco Giulini
