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BioExcel/ENCCS workshop – Advanced topics in simulations with GROMACS

January 12 @ 09:00 - January 15 @ 12:30 CET

Free

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

Details

Start:
January 12 @ 09:00 CET
End:
January 15 @ 12:30 CET
Cost:
Free
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Event Tags:
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Venue

Online

Organizers

ENCCS
BioExcel