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Summary of coefficient a1, a2 and b1, b2 applied to consecutive simulations and the resulting average boost energy.
| Water Simulation | Chloroform Simulation | ||||
|---|---|---|---|---|---|
| a1, a2 | b1, b2 | Avg. boost (kcal mol−1) | a1, a2 | b1, b2 | Avg. boost (kcal mol−1) |
| 4.0 | 0.16 | 5 | 4.0 | ------ | 6.5 |
| 3.5 | 0.30 | 45 | 4.5 | ------ | 10 |
| 3.5 | 0.20 | 15 | 6.0 | ------ | 30 |
