Figure 9.
NMR deuterium order parameters (SCD) for a hydrated POPE bilayer. Shown are the SCD calculated using the new Drude polarizable force field at 303 K (red), C36 additive force field at 310 K (blue), and measured from experiments at 310 K (black). The results for the C36 force field were taken from Klauda et. al.16 The experimental data is taken from Seelig and co-workers.75,76