Monte Carlo simulation of a model of water.
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.
Maggs
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AC
Laboratoire de Physico-Chime Théorique, UMR CNRS-ESPCI 7083, 10 rue Vauquelin, 75231 Paris Cedex 05, France.