Weighted histogram analysis method
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The weighted histogram analysis method (WHAM) is an extension of the histogram reweighting technique (Ref. 1).
STWHAM
A simulated tempering version.
PTWHAM
A parallel tempering version.
References
- Shankar Kumar, John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen, and Peter A. Kollman "The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method", Journal of Computational Chemistry 13 pp. 1011-1021 (1992)
- John D. Chodera, William C. Swope, Jed W. Pitera, Chaok Seok, and Ken A. Dill "Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations", Journal of Chemical Theory and Computation 3 pp. 26-41 (2007)