"Pull moves" for rectangular lattice polymer models are not fully reversible

Abstract

"Pull moves" is a popular move set for lattice polymer model simulations. We show that the proof given for its reversibility earlier is flawed, and some moves are irreversible, which leads to biases in the parameters estimated from the simulations. We show how to make the move set fully reversible.

4 pages, 2 figures. To be published in IEEE/ACM Transactions on Computational Biology and Bioinformatics

References in corpus (4)

• An efficient, multiple range random walk algorithm to calculate the density of states
• Versatile approach to access the low temperature thermodynamics of lattice polymers and proteins
• Long Range Moves for High Density Polymer Simulations
• Unraveling the beautiful complexity of simple lattice model polymers and proteins using Wang-Landau sampling

Cited by in corpus (1)

• Effect of protein structure on evolution of cotranslational folding