BioExcel/ENCCS workshop – Advanced topics in simulations with GROMACS

In collaboration with BioExcel, ENCCS is offering an online workshop on advanced GROMACS simulations taught by Dr Mark Abraham, Dr Christian Blau, and Dr Artem Zhmurov.

The following topics will be covered at the workshop:

January 12 – Using umbrella-sampling (“pulling”) simulations
January 13 – Using replica-exchange molecular dynamics
January 14 – Using applied-weight histogram methods (“AWH”)
January 15 – Computing trajectories efficiently on GPUs