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Number of intramolecularly hydrogen-bonded conformers (±SD) within the PSM bilayer as a function of time. The number of occurrences for each conformer is reported for the last nanosecond of simulation
| Conformation | FF1 | FF2 | FF3 |
|---|---|---|---|
| A | 88 (±2) | 88 (±1) | 118 (±2) |
| B | 1 (±1) | 4 (±1) | 3 (±1) |
| C | 5 (±1) | 3 (±1) | 3 (±1) |
| D | 1 (±1) | 2 (±1) | 1 (±1) |
| E | 1 (±1) | 0 | 0 |
| F | 1 (±1) | 3 (±1) | 3 (±1) |
| G | 5 (±1) | 3 (±1) | 2 (±1) |
| G* | 2 (±1) | 3 (±1) | 3 (±1) |
