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Calculated rates of exchange (μs-1) between chair puckers in the six α- and β-l-idopyranose 10 μs simulations.
| Anomer | Transition | TIP3P (μs-1) | TIP4P (μs-1) | TIP4P-EW (μs-1) |
|---|---|---|---|---|
| α | 1C4 → 4C1 | 20.1 | 19.8 | 20.4 |
| β | 1C4 → 4C1 | 0.9 | 0.9 | 0.7 |
| α | 4C1 → 1C4 | 292.0 | 200.0 | 193.0 |
| β | 4C1 → 1C4 | 167.0 | 149.0 | 250.0 |
