Computational Chemistry - Enhanced Sampling MD Course at HPC2N (Ume, February 2018)

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Name Computational Chemistry - Enhanced Sampling MD Course at HPC2N (Ume, February 2018)
Description Computational Chemistry - Enhanced Sampling MD Course at HPC2N in Umeå
Type of event Course
Location Umeå
Start date 2018-02-26
End date 2018-02-26

Course overview

This one day MD course will look at enhanced sampling, with a focus on NAMD. During the afternoon there will be a hands-on where you get the opportunity to run a NAMD job at HPC2N.

Topics

  • Short intro to HPC2N, running a batch job
  • Molecular Dynamics Simulations
  • Enhanced Sampling (Metadynamics and Accelerated Molecular Dynamics)
  • NAMD at HPC2N.

Participations is free. Lunch and coffee will be provided.

Course web page and registration

For more information and registration refer to the Course webpage

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