The purpose of this workshop is twofold; firstly, it will provide users of three important biomolecular modelling and simulation resources, GROMACS, HADDOCK and CPMD, to learn directly from the developers of these resources and find out about how BioExcel - Europe’s new centre of excellence for BioMolecular Research - will enable users to harness high-performance computing (HPC) to use these tools in a user-friendly environment that does not assume any prior experience of using HPC.