Hybrid Monte Carlo simulation of polymer chains
Summary, in English
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≤N≤512 monomers. Without excessive fine tuning, we find that the computational cost grows as N2+z′ with 0.641N∼Nν(ln N)-α.
- Computational Biology and Biological Physics
- Department of Astronomy and Theoretical Physics
Journal of Chemical Physics
American Institute of Physics (AIP)
- ISSN: 0021-9606