An Ghysels, Benjamin T. Miller, Frank C. Pickard IV and Bernard R. Brooks
As a consequence of dimension reduction, the simplified models may yield normal mode vectors of different length, making a comparison by calculating their dot product impossible. This article first investigates a horizontal mapping procedure for the reduced Hessian techniques, which project out degrees of freedom. A vertical mapping procedure is then designed for the “implosion” of the all-atom Hessian to a coarse-grained scale. Finally, metrics that can distinguish between good and bad coarse-graining models are provided.