Figure 3.

Phosphate positions of CG-DPPC-R_b (top panel) and CG-DOPC-R_b (bottom panel) simulations are used to generate smooth contours for use in the continuum model. The contours are neutral surfaces calculated from Eq. 3 that generate phosphate positions within ∼0.2 Å of the CG values. The offset between the contour and phosphate positions at large x reflects the 0.45-nm distance between the phosphate position and the lateral pressure minimum of the CG simulations. The intersection between the phosphate positions and continuum neutral surface for small x with DPPC reflects a slight thinning of the bilayer at the center of the fusion pore for this CG simulation.