Move set, algorithm, and folding kinetics of Monte Carlo simulations for lattice polymers
arXiv:cond-mat/0512263
Abstract
The effect of different move sets on the folding kinetics of the Monte Carlo simulations is analysed based on the conformation-network and the temperature-dependent folding kinetics. A new scheme of implementing Metropolis algorithm is given. The new method is shown to satisfy the detailed balance and converge efficiently towards thermal equilibrium. A new quantity, employed from the continuous time Monte Carlo method, is introduced to identify effectively the kinetic traps of foldings.
4 pages, 3 figures