Extension to the weighted histogram analysis method: combining umbrella sampling with free energy calculations
作者： Marc Souaille , Benoı̂t Roux
DOI: 10.1016/S0010-4655(00)00215-0
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摘要: … ) [3] using special biased sampling techniques. One of these is the umbrella sampling technique of Torrie and Valleau [11]. In umbrella sampling, the microscopic system of interest is …
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