Modified configurational bias monte carlo method for simulation of polymer systems

被引：39
|
作者：
Vendruscolo, M [1 ]
机构：
[1] SCH ADV INT STUDIES,SISSA,I-34014 TRIESTE,ITALY
来源：
JOURNAL OF CHEMICAL PHYSICS | 1997年 / 106卷 / 07期
关键词：
D O I：
10.1063/1.473356
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We present an extension of the configurational bias Monte Carlo method for the efficient simulation of off-lattice polymer systems. Elementary moves consist in regrowing internal segments of a polymer chain. We show that the method satisfies the detailed balance condition. We apply it to three well known simple models used in protein studies, namely homopolymers, random heteropolymers and random copolymers. (C) 1997 American Institute of Physics.
引用
收藏
页码：2970 / 2976
页数：7
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