Figure 3.

(a) Simulation snapshot of a DSPC bilayer, (b) mass density profile of choline (dashed lines), phosphate/glycerol (solid lines), and the lipid tails (dash-dotted lines), (c) the excess free energy profile, and (d) diffusion profile corresponding to water permeating a gel-phase DSPC bilayer, with the reference bulk SPC water diffusion at 298 K⁴⁹ indicated by the red dashed lines, (e) resistance profile with the contributions due to free energy and diffusion, (f) z-force autocorrelation function for different windows ranging from the aqueous phase to the bilayer center. The shaded areas in (c)–(e) indicate the statistical uncertainty calculated from multiple sweeps.