Hands-on Molecular Dynamics Simulations Workshop with research computing set for Friday | E-News

Join the Research Computing Team on Zoom for a two-hour long workshop on molecular dynamics simulations Friday (Oct. 22) at 1 p.m. This workshop will cover the three MD engines currently available on WVU HPC resources: NAMD, AMBER and GROMACS. 

This workshop is meant for beginners and intermediate users of MD simulations, covering topics such as building a system, selecting a forcefield/MD engine, running your simulation and understanding how to request and use HPC resources most efficiently. All interactions with WVU HPC clusters will be conducted through the OpenOnDemand interface; if you have no experience, follow these instructions.

We will also use VMD to visualize our systems before and after you run your MD simulations. 

Download VMD

No signup required; join the Zoom link

For questions. contact ncf0003@mix.wvu.edu.

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