Attention

You are looking at the documentation for the pymbar 3 LTS branch. If you want to update to the latest pymbar version, see this page https://pymbar.readthedocs.io/en/stable/moving_from_pymbar3.html

Bibliography

1

Michael R. Shirts and John D. Chodera. Statistically optimal analysis of samples from multiple equilibrium states. Journal of Chemical Physics, 129:124105, 2008.

2

John D. Chodera. A simple method for automated equilibration detection in molecular simulations. Journal of Chemical Theory and Computation, 12:1799, 2016.