Figure 5.

The error in $\Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}$ from using (a) traditional 2-dielectric method and (b) the Gaussian-based smooth dielectric model with in vacuo minimized structures with respect to the ensemble average (expressed as $\mid \langle \Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}\rangle -\Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}(InVacuo)\mid$) are plotted as a function of the population of the salt bridges which were present for more than 50% of the frames in its MD generated ensemble (occupancy > 50%). The solid black lines depict the linear model fits to these comparisons and the r² value is mentioned for each of these linear fits. All energy units are kcal/mol.