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Free Energy Difference of Five-Atomic Benchmark Systems in Kilocalories Per Mole
| LD | SGLDrw | |
|---|---|---|
| reference | −14.28 | |
| BAR | no convergence | −14.28 ± 0.10 |
| EDS (s = 1) | −11.91 ± 0.54 | −14.13 ± 0.12 |
| EDS (s = 0.1) | −12.83 ± 0.16 | −14.11 ± 0.20 |
| EDS (s = 0.01) | −14.05 ± 0.45 | −14.08 ± 0.16 |
| EDS (s = 0.001) | −14.20 ± 0.52 | −14.25 ± 0.21 |
