Introduction to Biomolecular modelling and Molecular dynamics in HPC
(Classical and Quantum)
4 – 5 February 2019
Purpose of the course
The purpose of this course is to present to existing and potential users of Molecular Dynamics packages the method, the necessary steps for a successful simulation, common practices, common mistakes. The steps for a complete simulation workflow i.e. system setup up to final properties evaluation will be presented using popular software packages.