Table 2:

The percentage of cases (out of the 74 proteins) where the difference in the ensemble average polar solvation energy and polar solvation energy of optimized crystal and EM structure obtained using TRAD-1 dielectric method is negative. The difference is expressed as $\langle \Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}\rangle -\Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}(EM)$. These cases would require decreasing the protein internal dielectric below 1 to correct for the error incurred by the TRAD-1 model, which is physically invalid.

Minimization Environment	% cases where $\mid \langle \Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}\rangle \mid >\mid \Delta {\mathrm{G}}_{\text{polar}}^{\text{solv}}(EM)\mid$
Crystal Structure	66.22 %
In Vacuo	100.00 %
GBIS	54.05%
Explicit Water (TIP3P)	78.34 %