Optimizing replica exchange moves for molecular dynamics

Document Type

Article

Publication Date

11-15-2007

Abstract

We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method. © 2007 The American Physical Society.

Publication Title

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

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