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| samples |
|||||
|---|---|---|---|---|---|
| thermodynamic quantity (kcal/mol) | grid resolution (Å) | 1000000 | 2000000 | 5000000 | 10000000 |
| –TSsw trans | 0.25 | 4.4 | 4.3 | 4.3 | 4.3 |
| –TSsw trans | 0.5 | 3.7 | 3.7 | 3.7 | 3.7 |
| –TSsw trans | 0.75 | 3.1 | 3.1 | 3.1 | 3.1 |
The translational component of −TSsw for acetamide, calculated from 1 000 000, 2 000 000, 5 000 000, and 10 000 000 samples with grid resolutions of 0.25, 0.5, and 0.75 Å..
