Computer simulation of the surface roughness of lipid membranes

Monte Carlo and molecular dynamics simulations have been performed to study the roughness of lipid lamellar phases. These simulations were based on a lipid model with simplified interaction potentials. Various kinds of surface roughness have been observed in systems with different sets of interaction parameters. The interaction between headgroup dipoles provokes the roughening of surfaces and causes the formation of ripple-like structures. The minimum length of the simulation box and the minimum simulation time to consider these effects are about 100 إ and 100 ns, respectively.