Generalized-ensemble Monte Carlo method for systems with rough energy landscape
- 1 August 1997
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 56 (2) , 2228-2233
- https://doi.org/10.1103/physreve.56.2228
Abstract
We present a 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 approach is demonstrated for the system of a small peptide, an example of the frustrated system with a rugged energy landscape.Keywords
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