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The Lennard-Jones parameters associated with the (vacuum) interactions of the methane-like hydrophobes are given below.39 Importantly, the mixing rules invoke the Lennard-Jones parameters of the fully-atomistic water model utilized in the optimization of the spherically-symmetric water model.35
| Hydrophobes interacting | σ/Å | ε/kJ mol−1 |
|---|---|---|
| with themselves | 3.73 | 1.23 |
| with water | 3.45 | 0.89 |
