Table 8.

Comparison of peak values of charge distributions over the simulation trajectory with average gas phase minimized charges of all 72 DMPC molecules

	Peak	Gas phase∗	Gas phase†
N	0.210	0.151	0.171
P1	1.430	1.514	1.484
O1	−0.619	−0.598	−0.599
O2	−0.608	−0.612	−0.597
O3	−0.960	−0.863	−0.904
O4	−0.960	−0.865	−0.894

^∗Molecules without minimization.

^†Models with minimization.