Transfer matrix method for enumeration ansi generation of compact self-avoiding walks. 1. Square lattices

摘要

The transfer matrix method has been developed to enumerate and generate compact self-avoiding walks in two dimensions on the square lattice within rectangular strips of size m x n. The method is significantly superior to the traditional method of computer generation of self-avoiding walks, because it is attrition-free, i.e., each computation leads to successful conformations, with no failures. The method is generalized to irregular shapes, and the extension of the method to the Monte Carlo sampling of the compact conformational space is proposed. Application of this new method to protein conformation generation is discussed, with the possibility of including several types of constraints. (C) 1998 American Institute of Physics. [References: 29]