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Weighted histogram analysis (WHAM)

[alanine dipeptinde PMF in implicit solvent]

Description

This is a code illustrating the implementation of the weighted histogram analysis method (WHAM) for the analysis of simulated and parallel tempering simulations, as described in the reference below.

References

"Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations", John D. Chodera, William C. Swope, Jed W. Pitera, Chaok Seok, and Ken A. Dill. Submitted to JCTC 2005-11-21.

Download

This archive is no longer being maintained. The current archive can be found at SimTK.org.

Updates

This code is no longer being maintained. Please see our new multistate Bennett acceptance ratio (MBAR) method, which provides a very simple and much more general replacement for WHAM.




jchodera@gmail.com · Last Modified 8 Jun 2008