Molecular dynamics calculation of the effect of solvent polarizability on the hydrophobic interaction

The potential of mean force (PMF) for two spherical methane molecules in a nonpolar water model (WK) and in a corresponding polarizable water mode (PSRWK) for the sample Me-W interaction are compared. By using molecular dynamics with Ewald boundary conditions it is shown that the water models have the same dielectric and structural properties. PSRWK modelling favors solvent-separating pairing but the WK model favors contact pairing.