"Pull Moves" for Rectangular Lattice Polymer Models Are Not Fully Reversible

IEEE/ACM Trans Comput Biol Bioinform. Nov-Dec 2012;9(6):1847-9. doi: 10.1109/TCBB.2012.129.

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.

MeSH terms

  • Algorithms
  • Computational Biology
  • Computer Simulation
  • Models, Chemical*
  • Models, Molecular
  • Polymers / chemistry*
  • Software

Substances

  • Polymers