VI-SEEM hands on workshop on MD biomolecular simulations / modeling was presented to existing and potential users of Molecular Dynamics packages the method, the necessary steps for a successful simulation, common practices, and common mistakes. The steps for a complete simulation workflow i.e. system setup up to final properties evaluation were presented using popular software packages. The aim of the course was to enable participants to efficiently use their preferred MD application (i.e. NAMD, GROMACS, LAMMPS, CP2K) for molecular modelling and molecular dynamics simulations, to create configuration files based on their needs, tuning the models, to efficiently use the resources based on the simulation details, and avoid common mistakes.
Please visit the event page for detailed information on the training: http://events.hpc.grnet.gr/event/65/