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| donor–acceptor | OPLS-AA | 1.14*CM1A | 1.27*CM5 |
|---|---|---|---|
| water–CH3OH | –6.94 | –6.11 | –6.80 |
| CH3OH–water | –5.57 | –5.54 | –5.72 |
| water–CH3SH | –3.24 | –3.01 | –3.38 |
| CH3SH–water | –2.58 | –2.26 | –2.65 |
| water–CH3OCH3 | –5.57 | –6.18 | –7.09 |
| water–CH3SCH3 | –4.84 | –3.59 | –3.82 |
| water–acetamide (1) | –6.92 | –6.49 | –8.02 |
| water–acetamide (2) | –9.31 | –9.25 | –10.61 |
| acetamide–water | –6.75 | –7.18 | –7.41 |
