04 – Estimating free energy profiles

Tutorial input files can be obtained from:

https://github.com/CompBiochBiophLab/sbm-openmm/blob/master/tutorials/basic/04-FreeEnergySurface

Instructions are in the following Jupyter Notebook:

https://github.com/CompBiochBiophLab/sbm-openmm/blob/master/tutorials/basic/04-FreeEnergySurface/freeEnergyProfile.ipynb