View source for MD Course at HPC2N, Umeå, June 2016

{{training event info
|description=Computational Chemistry - MD Simulations in Umeå
|fields=High performance computing; Gromacs; Molecular dynamics
|event type=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 
[https://www.hpc2n.umu.se/events/courses/md-simulations Course webpage]