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) |
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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