MD Course at HPC2N, Umeå, June 2016
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| Name | MD Course at HPC2N, Umeå, June 2016 |
|---|---|
| Description | Computational Chemistry - MD Simulations in Umeå |
| Type of event | Course |
| Location | Umeå |
| Start date | 2016-06-20 |
| End date | 2016-06-20 |
Course overview
This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running GROMACS at HPC2N. There will be a hands-on. Bring your own protein/system if you have it, and want help with running it.
Topics
- Basics on Molecular Dynamics simulations
- Force Field
- Ensembles
- Beyond classical MD simulations: Accelerated MD, Umbrella Sampling, Coarse Graining, Alchemical method
- Overview of the HPC2N systems
- Using GROMACS at HPC2N
- Setting up a simulation
- Minimization
- Solvation & Equilibration
- Production run
- Some analysis tools
- Using GROMACS/Visualization tools (VMD) 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
