Table 2.

Statistics for concerted motion: N, the number of diffusional jumps for each trajectory based on a cluster analysis; N^f, the number of jumps following another jump within 100ps; N^if, the number of jumps that would be expected from independent Poisson statistics (Eq. 6); π, the probability of a concerted jump (Eq. 7); and the p-value, which is the probability that N^if would have been observed if the jumps were independent (Eq. 8). Lipids were divided into the first shell (r < 8 Å), second shell (8 Å ≤ r < 16 Å) and third shell (16 Å ≤r < 24 Å), with n_s the average number of lipids in each shell.

Simulation	Shell	ns	Nf	Nif	π	p-value
72 PME run1	1	5.9	41	23.8	0.045	0.0005
(N=380)	2	18.1	103	72.3	0.081	0.0003
	3	31.3	147	125.3	0.057	0.026
72 PME run2	1	5.5	36	19.4	0.047	0.0002
(N=355)	2	18.4	74	64.2	0.028	0.10
	3	31.8	95	110.9	0.000	0.93
72 PME run3	1	5.7	27	20.4	0.018	0.063
(N=359)	2	18.8	96	67.0	0.081	0.0003
	3	30.9	117	110.3	0.019	0.24
288 PME	1	5.7	20	18.5	0.002	0.31
(N= 683)	2	18.4	80	59.5	0.030	0.005
	3	31.6	84	102.3	0.000	0.96