Figure 3.

Fitted induced dipole moments (${\mu }_{ind}$) in the presence of an external electric field (E), plotted for each separate dimensional component (x, y or z). In (a–c), the results obtained using our original method (with updated E calculation) are presented, where induced dipoles of the QM solute were fitted independently for each individual solvent configuration obtained from MD. The x, y and z components of these induced dipoles are presented in (a–c), respectively; (d–f) present the results of our consensus fitting approach, where 20 independent solvent configurations are used simultaneously in each constrained fit of the induced dipole moments. The x, y and z components of these induced dipoles are presented in (d–f), respectively.