Generalized-ensemble algorithms are very powerful simulation methods for configurational sampling of complex systems. In particular, two of the generalized-ensemble algorithms are now commonly used in the protein folding problem. This paper presents the details of the MC versions of two new generalized-ensemble algorithms, which combine the merit of multicanonical algorithm and replica-exchange method.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry