GMPavanLab / Swarm-CG

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
https://pubs.acs.org/doi/10.1021/acsomega.0c05469
MIT License
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Group scoring functions #19

Closed giovannidoni closed 3 years ago

giovannidoni commented 3 years ago

In this PR, I am moving things around to separate function according to their function. This makes the code a bit easier to read for future refactoring.