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BioExcel/ENCCS workshop – Advanced topics in simulations with GROMACS
12 Jan 2021 • 09:00 - 15 Jan 2021 • 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 Blau, Dr Artem Zhmurov and Dr. Alessandra Villa.
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
Registration
Workshop Notes
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This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and its associated countries .