View source for MD/CHARMM course at HPC2N (4 May 2017)

{{training event info
|description=Computational Chemistry - MD/CHARMM course in Umeå
|fields=High performance computing, charmm, Molecular dynamics
|event type=Course
|location=Umeå
|start date=2017-05-04
|end date=2017-05-04
}}

== Course overview ==
This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running CHARMM at HPC2N.
There will be a hands-on.  

== Topics ==
* Short intro to HPC2N, running a batch job
* Basics on Molecular Dynamics simulations
** Force Field
** Ensembles
** Beyond classical MD simulations: Accelerated MD, Umbrella Sampling, Coarse Graining, Alchemical method
* Using CHARMM at HPC2N 
** Setting up a simulation
** Minimization
** Solvation & Equilibration
** Production run
** Some analysis tools

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-spring2017 Course webpage]