We have investigated the folding properties of tryptophan zipper-I molecule which folds into a stable β-hairpin motif in aqueous solution as suggested by nuclear magnetic resonance (NMR) experiments. An all-atom presentation, including hydrogen, was used with an implicit solvent. As a...

The two- and three-dimensional q-state Potts model is simulated by a cluster algorithm and the relaxation dynamics of average cluster size and the order parameter during initial thermalization are studied. The dependence of these quantities on the lattice size and q in the early stages of Monte...

The scaling behavior of fluctuations in cluster size is studied in q=5 and 7 state Potts models. This quantity exhibits scaling behavior on small lattices where the scaling of local operators like energy fluctuations and Binder cumulant cannot be expected.

The two-dimensional Potts model with 2 to 10 states is studied using a cluster algorithm to calculate fluctuations in cluster size as well as commonly used quantities like equilibrium averages and the histograms for energy and the order parameter. Results provide information about the variation...