Then, the PMF can be calculated, and a continuous curve can be assembled from adjacent sampling windows. This umbrella sampling method can be used to reparameterize the MARTINI CG bead types in terms of LJ σ, LJ ϵ, and partial charge q. By performing a 3D grid search, the bead parameters can be optimized. In this dissertation, only the partial charge q was optimized since the π-π interaction was the primary interaction in need of optimization in the CG RNT model.