Generalized-ensemble Monte carlo method for systems with rough energy landscape

Details Generalized-ensemble Monte carlo method for systems with rough energy landscape Generalized-ensemble Monte carlo method for systems with rough energy landscape

1997-10-29

arxiv.org/abs/cond-mat/9710306v1

Phys. Rev. E 56 (1997) 2228 - 2233

Physics

Condensed Matter

Latex; ps-files included

Scientific paper

10.1103/PhysRevE.56.2228

We present a novel Monte Carlo algorithm which enhances equilibrization of low-temperature simulations and allows sampling of configurations over a large range of energies. The method is based on a non-Boltzmann probability weight factor and is another version of the so-called generalized-ensemble techniques. The effectiveness of the new approach is demonstrated for the system of a small peptide, an example of the frustrated system with a rugged energy landscape.

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