External tutorials

Since the REXEE method combines the working principles of expanded ensemble and Hamiltonian replica exchange methods, understanding these two methods, espeically how to run them in GROMACS, could be helpful for understanding and using the REXEE method. Here, we provide a list of external tutorials about the expanded ensemble and Hamiltonian replica exchange methods.

1. Tutorials on the expanded ensemble method

• Hands-on tutorials: Advanced sampling methods using GROMACS - 5. Expanded ensemble.

2. Tutorials on the Hamiltonian replica exchange method

• Hands-on tutorials: Advanced sampling methods using GROMACS - 4. Hamiltonian replica exchange.

• i-CoMSE Advanced Sampling Workshop - March 2023 - Wednesday - Part 3.