/WHAM

Implementation of the Weighted Histogram Analysis Method (WHAM) in 1D and 2D written in Python

Primary LanguagePython

Weighted Histogram Analysis Method (WHAM)

This is an implementation of the weighted histogram analysis method (WHAM) written in Python. This code allows for the calculation of 1-dimensional and 2-dimensional free energy profiles using data sampled from umbrella simulations. For more information, read the attached PDF summarizing the equations used in WHAM-1D and WHAM-2D.