HECBioSim makes it easy for any UK-based biosimulation scientist to get significant amounts of time on ARCHER, the UK National High Performance Computing Service. Used appropriately, this can make an enormous impact on the quantity and quality of the research that can be done. But learning how to use HPC resources, and analysing the huge amounts of data they can produce, can be a significant challenge.
In this course you will be introduced to Longbow, a Python tool created by the HECBioSim consortium, that allows you to use primary molecular dynamics packages (AMBER, GROMACS, LAMMPS, NAMD) with ease from the comfort of your own desktop, and pypcazip, a flexible Python-based package for the analysis of large molecular dynamics trajectory data sets.
Before starting this workshop you will need working copies of the software, get them at the below links:
For Longbow download here
For pypcazip download here