The surface tension of lipid water interfaces: Monte Carlo simulations

Abstract

We present the results of several computer simulations using a model for the head group water interface of a lipid bilayer. Simulations were performed using the Monte Carlo method, enhanced by a ’’half‐umbrella sampling’’ algorithm we developed in an earlier paper. Our results can be used in a comparative way, along with the earlier results for pure water, to estimate the effective dipole moment of a typical phospholipid in a bilayer in excess water.