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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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Add input class #39

Closed giovannidoni closed 3 years ago

giovannidoni commented 3 years ago

Continuation of pr #38: add draft of input class, remove all mdp from tests data