Masterclass 22.10: Hamiltonian replica exchange with PLUMED and GROMACS

This lesson was given as part of the PLUMED masterclass series in 2022. It includes:

• A video that explain the theory covered and a second video which shows you how the exercises should be completed.
• A series of exercises that you should try to complete yourself.
• Some supplementary python notebooks that provide further background information on the exercise.

The flow chart shown below indicates the order in which you should consult the resources. You can click on the nodes to access the various resources. Follow the thick black lines for the best results. The resources that are connected by dashed lines are supplmentary resources that you may find useful when completing the exercise.

This lesson was the first masterclass in the 2021 series.

Click here to open manual pages for actions discussed in this tutorial.