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The ability to measure the mean and Gaussian curvature in lipid mesophases isimportant in our understanding of their formation and properties, and can beachieved both experimentally and computationally. Here we show that curvaturecan be measured using Molecular Dynamics simulations, however the reliabilityof the results is highly dependent on the choice of fitting algorithm, theatoms within the lipid membrane that are selected for fitting and the number ofatoms that are included in the fit. We compare the results of our method to theL${\alpha}$ mesophase as previously studied, and subsequently extend the methodto the Q$_{II}^{D}$ and H$_{II}$ mesophase, not previously studied in this waycomputationally, but whose curvatures are known both analytically andexperimentally. By systematically comparing our results, we demonstrate arobust method which can be used in general to measure curvature.

Mean and Gaussian Curvature of Lipid Mesophases measured using molecular dynamics