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Comparison of non-Coulombic contribution to the potentials of TIP3P type models. The distance referenced here is the interatomic distance between oxygen atoms. LJ-OG as the original parametrization, LJ-OPT as the optimized model presented in this work using the LJ potential and Buckingham as the optimized model presented in this work using the Buckingham potential. Inset shows potentials plotted on larger scale to highlight change in repulsiveness.
