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. Author manuscript; available in PMC: 2017 Sep 12.
Published in final edited form as: J Chem Theory Comput. 2017 Aug 8;13(9):4535–4552. doi: 10.1021/acs.jctc.7b00262

Figure 9.

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