A Parallel Multidimensional Weighted Histogram Analysis Method

A Parallel Multidimensional Weighted Histogram Analysis Method

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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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Bibliographic Details
Main Author: Potgieter, Andrew
Format: Others
Published: 2014
Subjects:
D.m MISCELLANEOUS
D.1 PROGRAMMING TECHNIQUES
J.2 PHYSICAL SCIENCES AND ENGINEERING
I.6 SIMULATION AND MODELING
Online Access:http://pubs.cs.uct.ac.za/archive/00000986/

Internet

http://pubs.cs.uct.ac.za/archive/00000986/

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