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Multidimensional Free-Energy Calculations Using the Weighted Histogram Analysis Method

JOURNAL OF COMPUTATIONAL CHEMISTRY, no. 11 (1995): 1339-1350

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The recently formulated weighted histogram analysis method (WHAM)(1) is an extension of Ferrenberg and Swendsen's multiple histogram technique for free-energy and potential of mean force calculations. As an illustration of the method, we have calculated the two-dimensional potential of mean force surface of the dihedrals gamma and chi in ...更多

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