Table 2.

Calculated order parameters and density for the RM734 variants.

	P2	B	P1(n)	P1(dipoles)	P (C/m2)	ρ (g cm3)
RM63 (polar)	0.76 ± 0.010	0.017 ± 0.009	0.85 ± 0.06	0.83 ± 0.04	0.051 ± 0.002	1.260 ± 0.003
RM63 (apolar)	0.62 ± 0.021	0.026 ± 0.014	0.092 ± 0.009	0.068 ± 0.006	0.005 ± 0.0004	1.259 ± 0.003
RM500 (polar)	0.67 ± 0.034	0.064 ± 0.020	0.86 ± 0.08	0.84 ± 0.03	0.049 ± 0.003	1.175 ± 0.003
RM500 (apolar)	0.64 ± 0.024	0.073 ± 0.021	0.045 ± 0.011	0.022 ± 0.009	0.002 ± 0.0004	1.179 ± 0.003
RM554 (polar)	0.66 ± 0.015	0.027 ± 0.014	0.88 ± 0.09	0.87 ± 0.07	0.069 ± 0.0011	1.324 ± 0.003
RM554 (apolar)	0.68 ± 0.009	0.024 ± 0.008	0.061 ± 0.021	0.031 ± 0.011	0.009 ± 0.0007	1.311 ± 0.003

Second-rank orientational order parameter (P2), biaxial order parameter (Β), polar order parameter (P1), order parameter of the polarization vector (P1(dipoles)), polarization vector (P) at 400 K for polar or apolar molecular dynamics simulations of homologous of RM734; all values are an average over each timestep in the production MD run (30–280 ns) as described in the text, with plus/minus values corresponding to one standard deviation from the mean.