Article ID Journal Published Year Pages File Type
5382885 Chemical Physics Letters 2012 6 Pages PDF
Abstract
► Our method can determine parameters of a free energy in molecular simulations. ► Free-energy gradients from temperature-accelerated MD are used on-the-fly. ► We demonstrate our method in derived effective potentials for coarse-grained simulations.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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