Replica-exchage multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape

摘要

We propose two efficient algorithms for configurational sampling of systmes 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 first in which a replica-exchage multicanonical simulation is performed with a small number of replicas.These new algorithms are particularly useful for studying the protein folding problem.