MODIFIED CONFIGURATIONAL BIAS MONTE-CARLO METHOD FOR SIMULATION OF POLYMER SYSTEMS

Authors
VENDRUSCOLO M
Citation
M. Vendruscolo, MODIFIED CONFIGURATIONAL BIAS MONTE-CARLO METHOD FOR SIMULATION OF POLYMER SYSTEMS, The Journal of chemical physics, 106(7), 1997, pp. 2970-2976
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
106
Issue
7
Year of publication
1997
Pages
2970 - 2976
Database
ISI
SICI code
0021-9606(1997)106:7<2970:MCBMMF>2.0.ZU;2-C
Abstract
We present an extension of the configurational bias Monte Carlo method for the efficient simulation of off-lattice polymer systems. Elementa ry moves consist in regrowing internal segments of a polymer chain. We show that the method satisfies the detailed balance condition. We app ly it to three well known simple models used in protein studies, namel y homopolymers, random heteropolymers and random copolymers. (C) 1997 American Institute of Physics.