Table 1.
Solvation free energy (kcal/mol) for growing a water molecule in pure solvent
| # of states | 24 | 2 | γ = 0 | γ = 1 |
|---|---|---|---|---|
| ΔF(0)(TIP3P) | −6.18±0.02 | −6.03±0.19 | −3.3 | −9.8 |
| ΔF(0)(SPC/E) | −6.81±0.02 | −6.97±0.14 | −3.7 | −11.9 |
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