TABLE 4.

Molecular ordering tensor elements of pyrene in POPC bilayers for the five molecules, averaged over the last 10 ns (15–25 ns) of the simulation, compared with the NMR results

Order parameter	PYR1	PYR2	PYR3	PYR4	PYR5	Average	NMR
Sxx	0.38	0.25	0.47	0.25	0.31	0.33
Syy	0.05	0.17	−0.02	0.14	0.02	0.07
Szz	−0.43	−0.41	−0.44	−0.40	−0.33	−0.40	−0.42
Sxx−Syy	0.34	0.08	0.49	0.11	0.29	0.26	0.25