FIGURE 1.

(a) A patch of 128 DMPC lipids and 2944 water molecules was used as starting configuration for all simulations. To calculate structure factors and radial distribution functions, a four-times larger patch was simulated. (b) Electron density determined by x-ray diffraction (shaded), by simulation (black), and by convolving the simulation result with a Gaussian (dashed). (c) Electron density extracted from the simulation and decomposed in contributions from headgroups (shaded solid), lipid tails (shaded dashed), water (black dashed), and the complete system (black solid).