Journal of Chemical Physics, Vol.101, No.2, 1661-1667, 1994
Hybrid Monte-Carlo Simulation of Polymer-Chains
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with short- or long-range self-repulsion, using chains with 16 less than or equal to N less than or equal to 512 monomers. Without excessive fine tuning, we find that the computational cost grows as N-2+z’ with 0.64