Wednesday, 25 March 2026
| 08:45 | Join in |
| 09:00 | Welcome, Motivation & Introduction |
| ===== | Theoretical Foundations of Molecular Dynamics: |
| Force fields | |
| Multistep simulation preparation process | |
| Setting up GROMACS in an HPC environment | |
| Practical simulation preparation: minimization, equilibration, production | |
| 13:00 | End of first day |
Thursday, 26 March 2026
| 08:45 | Join in |
| 09:00 | Welcome to day 2 |
| ===== | Post Production Trajectory Analysis: |
| Introduction to Visual Molecular Dynamics to investigate the trajectory | |
| Investigating global collective molecular motions and local fluctuations | |
| 13:00 | End of second day (course) |
