Optimizing Replica Exchange Moves For Molecular Dynamics
Quantitative Methods
2009-11-13 v3 Statistical Mechanics
Computational Physics
Biomolecules
Abstract
In this short note 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.
Cite
@article{arxiv.0708.3627,
title = {Optimizing Replica Exchange Moves For Molecular Dynamics},
author = {Walter Nadler and Ulrich H. E. Hansmann},
journal= {arXiv preprint arXiv:0708.3627},
year = {2009}
}
Comments
4 pages, 3 figures; revised version (1 figure added), PRE in press