2005/12/13 by Yu-Pin Luo, Luo, Yu-Pin, Ming-Chang Huang +5
Physics and Astronomy · #FOS: Physical sciences #Soft Condensed Matter (cond-mat.soft) #cond-mat.soft
paper · pdf · doi:10.48550/arxiv.cond-mat/0512263
4 pages, 3 figures
arxiv created 2005/12/13 · arxiv updated 2009/12/01
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.