Table 1. Membrane Properties of the Ternary Lipid Mixture DPPC/DLiPC/CHOL Simulated Using Either One or Three Temperature Coupling Groups for the Lipids with Loose LINCS Settings (First Two Columns) or the More Conservative LINCS Options with One Coupling Group for the Lipids (the Last Column)^c.

			lincs_iter = 2
	single temperature coupling group	three temperature coupling groups	lincs_order = 8
average membrane temperature (K)a	308.1 ± 0.4	308.2 ± 0.2	309.3 ± 0.2
temperature DPPC (K)a	303.3 ± 0.2	308.0 ± 0.2	308.7 ± 0.2
temperature DLiPC (K)a	316.9 ± 0.8	309.1 ± 0.2	310.4 ± 0.2
temperature CHOL (K)a	302.5 ± 0.4	306.2 ± 0.5	308.9 ± 0.3
temperature water(K)a	309.6 ± 0.1	309.6 ± 0.1	309.5 ± 0.1
average APL (nm2)b	0.737 ± 0.003	0.736 ± 0.003	0.738 ± 0.003
average area compressibility (mN/m)b	377 ± 11	314 ± 7	335 ± 9
average tail order DPPCb	0.633 ± 0.003	0.602 ± 0.002	0.607 ± 0.002
average tail order DLiPCb	0.238 ± 0.001	0.249 ± 0.001	0.246 ± 0.001
average bilayer thickness (nm)b	4.07	4.07	4.07
CHOL flip–flop rate (106 s–1)a	5.12 ± 0.07	4.69 ± 0.04	4.93 ± 0.06

^aAveraged over the last 10 μs

^bAveraged over the last 2 μs.

^cAll errors are standard errors and they were omitted if <0.001.