Tutorials

In this section, we will provide a number of practical tutorials for using Wepy to collect research data. This will cover how to prepare your own systems for simulation, how to write Wepy scripts to perform ligand binding and unbinding, data analysis, running and analyzing simulation replicates, and submitting Wepy jobs to a compute cluster.

• How to Prepare Your Data
• Unbinding Simulation
• Rebinding Simulation
• Analyzing Wepy Data
• Running Multiple Simulations
• Using SLURM to Start a Wepy Simulation