Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape
Statistical Mechanics
2009-10-31 v1 q-bio
Abstract
We propose two efficient algorithms for configurational sampling of systems with rough energy landscape. The first one is a new method for the determination of the multicanonical weight factor. In this method a short replica-exchange simulation is performed and the multicanonical weight factor is obtained by the multiple-histogram reweighting techniques. The second one is a further extension of the first in which a replica-exchange multicanonical simulation is performed with a small number of replicas. These new algorithms are particularly useful for studying the protein folding problem.
Cite
@article{arxiv.cond-mat/0009119,
title = {Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape},
author = {Yuji Sugita and Yuko Okamoto},
journal= {arXiv preprint arXiv:cond-mat/0009119},
year = {2009}
}
Comments
9 pages, (ReVTeX), 7 figures. Chem. Phys. Lett. (2000), in press