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. Author manuscript; available in PMC: 2013 Mar 7.
Published in final edited form as: J Phys Chem B. 2012 Feb 22;116(9):2739–2750. doi: 10.1021/jp2102447

Figure 4.

Figure 4

Cross sections in the xy plane of the water (A) and phosphate group (B) densities. Left side (no permeant) and right side with permeant at z = −4 Å. Blue means no density and red maximum density. The separation between the planes is 4 Å. The top cross section corresponds to the center of the bilayer (z = 0 Å). The cross section z = −4 Å is the second from top. Note that the density is computed in a domain not perturb by the second permeant. Configurations were obtained from the last 20 ns of the corresponding umbrella sampling simulation with the permeant located at the center of the xy plane for this analysis.