Dear all,

On April 22nd-23rd BioExcel is providing training in QM/MM simulation using GROMACS together with CP2K. Participants will gain hands-on practical experience using the codes on the ARCHER2 supercomputer. The course will cover:

  • A brief introduction to QM/MM
  • How to use GROMACS + CP2K to perform biomolecular QM/MM simulations
  • CP2K parameter choice guidance
For more information and to register, see https://events.prace-ri.eu/event/1204/

Best regards,
The organisers
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