This is the workshop material for a Molecular Dynamics course that is being developed and delivered by Compute Canada’s Molecular Modelling and Simulation Team.
Prerequisites
This material has been designed for a multi-day workshop offered by Compute Canada’s Molecular Modelling and Simulation Team and ACENET.
The procedure on how to setup, configure and start the Jupyter notebook server should work on all of Compute Canada’s clusters as well as all clusters using Compute Canada’s software stack. Data used in this material can be found here.