Weighted histogram analysis method: Difference between revisions
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Carl McBride (talk | contribs) (New page: {{Stub-general}} The '''weighted histogram analysis method''' (WHAM) ==STWHAM== ==PTWHAM== ==References== #[http://dx.doi.org/10.1021/ct0502864 John D. Chodera, William C. Swope, Jed W. ...) |
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{{Stub-general}} | {{Stub-general}} | ||
The '''weighted histogram analysis method''' (WHAM) | The '''weighted histogram analysis method''' (WHAM) is an extension of the [[histogram reweighting]] technique (Ref. 1). | ||
==STWHAM== | ==STWHAM== | ||
A [[simulated tempering]] version. | |||
==PTWHAM== | ==PTWHAM== | ||
A [[parallel tempering]] version. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1002/jcc.540130812 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)] | |||
#[http://dx.doi.org/10.1021/ct0502864 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)] | #[http://dx.doi.org/10.1021/ct0502864 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)] | ||
[[category: Computer simulation techniques]] | [[category: Computer simulation techniques]] | ||
Revision as of 14:26, 11 March 2008
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This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
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)