Table 3. Area per Lipid for Bilayer Systems Simulated Using the New and Old Force Field and the Corresponding Experimental Values10a.
| area per
lipid (nm2) |
||||
|---|---|---|---|---|
| lipid | temp. (K) | old FF | new FF | exp. |
| DMPC | 303 | 0.603 | 0.596 | 0.599 |
| POPC | 303 | 0.648 | 0.647 | 0.643 |
| DPPC | 323 | 0.619 | 0.620 | 0.631 |
The uncertainties in area per lipid are within ±0.011 and ±0.013 nm2 for the values from simulations and experiments, respectively.