Molecular Dynamics of Lipid Bilayers

摘要

The aim of this work is to study, by molecular dynamics simulations, the properties of lipid bilayers. We have applied the vectorizable, order-N Monotonic Lagrangian Grid near-neighbors algorithm and have developed a novel constraint algorithm to a simple model bilayer system. We have developed fast angle-dependent force/potential algorithms to treat angle bending and torsion. Keywords: Molecular dynamics, Lipid bilayers. (KT)