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The mean interaction energy for cooperatively hydrated interactions in the native and extended states for each system treatment, plus the resulting energy difference.
| Treatment | Native ECH (kcal/mol) | Extended ECH (kcal/mol) | ΔECH (kcal/mol) |
|---|---|---|---|
| CHARMM22/TIP3P | −21.9 | −21.5 | −0.3 |
| CHARMM36/TIP3P | −18.5 | −18.1 | −0.4 |
| CHARMM36/TIP4P-2005 | −21.1 | −20.8 | −0.3 |
| CHARMM22/TIP3P/NaCl | −15.2 | −14.9 | −0.2 |
