Modified configurational bias Monte Carlo method for simulation of polymer systems
- 15 February 1997
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 106 (7) , 2970-2976
- https://doi.org/10.1063/1.473356
Abstract
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.Keywords
This publication has 24 references indexed in Scilit:
- Is Heteropolymer Freezing Well Described by the Random Energy Model?Physical Review Letters, 1996
- A configurational bias Monte Carlo method for linear and cyclic peptidesMolecular Physics, 1996
- Phase separation in binary hard-core mixturesThe Journal of Chemical Physics, 1994
- Phase diagram of random copolymersPhysical Review E, 1993
- Comparison between cluster Monte Carlo algorithms in the Ising modelPhysics Letters B, 1989
- The pivot algorithm: A highly efficient Monte Carlo method for the self-avoiding walkJournal of Statistical Physics, 1988
- Statics and dynamics of the freely jointed polymer chain with Lennard-Jones interactionThe Journal of Chemical Physics, 1980
- Computer Simulation of the Dynamics of a Single Polymer ChainPhysical Review Letters, 1978
- Spectroscopic studies on naphthalene in the vapor phase. II. Fluorescence quantum yields from single vibronic levels in the first excited singlet state—behavior of higher excited singlet statesThe Journal of Chemical Physics, 1975
- Monte Carlo Calculation of the Average Extension of Molecular ChainsThe Journal of Chemical Physics, 1955