title: Monte Carlo simulation of a model of water.
abstract: We simulate TIP3P water using a constrained Monte Carlo algorithm to generate electrostatic interactions eliminating the need to sum over long-ranged Coulomb interactions. We study discretization errors when interpolating charges using splines and Gaussians. We compare our implementation to molecular dynamics and Brownian dynamics codes.
authors.affiliation: Laboratoire de Physico-Chime Théorique, UMR CNRS-ESPCI 7083, 10 rue Vauquelin, 75231 Paris Cedex 05, France.
authors.forename: A C
authors.initials: AC
authors.lastname: Maggs