. Author manuscript; available in PMC: 2014 Feb 3.

Published in final edited form as: J Chem Theory Comput. 2013 Sep 6;9(11):5116–5126. doi: 10.1021/ct400431e

Table 2.

APL, bilayer thickness, tilt angle, nematic order parameter, and hexagonal order parameter of CER NS and NP bilayers from simulations run at 305K.

	APL (Å²)	Bilayer thickness (Å)	Tilt angle (°)	S₂	Hex OP
CER NS C₁₆	42.4±0.2	42.5 ± 0.5	24.3 ± 0.9	0.980	0.68 ± 0.02
CER NP C₁₆	42.1 ± 0.2	44.1 ± 0.5	20.5 ± 0.8	0.980	0.68 ± 0.02