Coarse grain simulation and visualisation of lipid and water molecules ensembles

We simulate and visualize the formation and behavior of lipid membrane and lipid vesicle in order to recreate the measured results obtained in previous experiments. Simulated lipid membranes, lipid membrane rings, and lipid vesicles are composed of 56, 264, and 2963 lipid molecules, respectively. All structures have dimensions in the range of a few nanometers and interact with the water environment. We use a coarse grain molecular dynamics (CG-MD) simulation method. The CG-MD simulations are run on multicore parallel computer to simulate up to 100 ns intervals. We confirm the formation of all three simulated structures and show that they remain stable through the whole simulated time intervals.