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BioExcel/ENCCS workshop – Advanced topics in simulations with GROMACS

Online

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") simulationsJanuary 13 - Using replica-exchange molecular dynamicsJanuary 14 - […]

Free

GROMACS Workshop – ENCCS/CSC/BioExcel

Online

This course gives advanced practical tips on how to run GROMACS MD simulations efficiently on modern hardware including both CPUs and GPUs. In addition to speeding up MD simulations, also workflow automation, advanced sampling techniques, and future developments are discussed. The course consists of lectures and hands-on exercises. GROMACS will be used in the exercise sessions.

Free