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Comparison between the Tinker-OpenMM absolute and relative platform calculation of the solvation energy between pairs of aromatic compounds. Values are in kcal/mol.
| Relative from Dual-Topology | Difference by Absolute | |
|---|---|---|
| Aniline/Benzene | 4.2±0.1 | 4.0±0.1 |
| Adenine/Pyrrole | 11.4±0.1 | 11.3±0.1 |
| Aniline/Adenine | −10.2±0.1 | −10.2±0.1 |
| Benzene/3-Methylimidizole | −9.0±0.1 | −8.7±0.1 |
| 3-Methylpytidine/pyridine | −0.1±0.1 | 0.0±0.1 |
