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The breakdown of the GB model for disconnected solute geometries. Comparison of the electrostatic interaction energy (kcal/mol) of two CoHex ions at the separation distance d = 9.8 Å (d > ai + 2 + ai, ai = 3.63 Å, = 1.22 Å), using the GB model, numerical solution of the PE, and the Coulomb law. Solvent dielectric constant ϵout = 80.
| Evaluation model | Generalized Born | Poisson equation | Coulomb law |
|---|---|---|---|
| Interaction energy | 9.9 | 4.3 | 3.8 |
