Article ID Journal Published Year Pages File Type
5388148 Chemical Physics Letters 2008 6 Pages PDF
Abstract
Combined use of the WHAM and the FEP method may be useful in PMF simulations of short parts of reaction pathways.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Calculation of PMF from the WHAM and FEP molecular dynamics simulations: Case study of the methane dimer in water
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