FIGURE 5.

The PMF for the center of mass of the benzene molecule relative to the POPC bilayer center as a function of the partial charges on the benzene: uncharged (bottom); small set of partial charges (middle); and large set of partial charges (top). All PMF curves are relative, i.e., they do not show the absolute change in free energy with the change in charge. All curves are vertically adjusted so that the lowest region of the PMF has a value of zero. An estimated 95% confidence interval is indicated by the diffuse backgrounds. The interfacial localization observed in the simulations using charge set 2 indicates that dipolar interactions are not necessary for localization to occur.