Figure 7.

Comparison of standard and modified Lennard-Jones potential energies used in Ca²⁺ and La³⁺ simulations. The full black line represents the standard potential energy taken from GROMOS96 for Ca²⁺; the red dashed line shows the modified potential used in Ca²⁺ simulations with FQ; the blue dot-dashed line shows the OPLS potential energy for La³⁺ with fixed charges; the green dotted line shows the shifted potential used in La³⁺ simulations with FQ.