A Parallel Multidimensional Weighted Histogram Analysis Method
The Weighted Histogram Analysis Method (WHAM) is a technique used to calculate free energy from molecular simulation data. WHAM recombines biased distributions of samples from multiple Umbrella Sampling simulations to yield an estimate of the global unbiased distribution. The WHAM algorithm iterates...
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| Format: | Others |
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2014
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| Online Access: | http://pubs.cs.uct.ac.za/archive/00000986/ |