Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
So in principle this is ready and well tested by Luca and me. This allows to use all virtual sites functions, except vs2 func 2, but we have enough to resolve issue #1.
So in principle this is ready and well tested by Luca and me. This allows to use all virtual sites functions, except vs2 func 2, but we have enough to resolve issue #1.