In collaboration with BioExcel, ENCCS is offering an online workshop on advanced GROMACS simulations taught by Dr Mark Abraham, Dr Christian Blau, Dr Artem Zhmurov and Dr. Alessandra Villa.
The workshop will be all-virtual on 4 successive mornings January 12-15 2021, 09:00-12:30.
Topics
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
The sessions will include some presentations and some hands-on live-coding-style material.
Registration
Registration is closed.
Contact person: Kjartan Thor Wikfeldt (kjartan.thor.wikfeldt@it.uu.se)
Workshop Notes
You can find anonymised workshop notes at https://hackmd.io/@enccs/gromacs-jan-2021.