search

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
42 stars 10 forks source link

Move sim settings #31

Closed giovannidoni closed 3 years ago

giovannidoni commented 3 years ago

Move simulation settings to separate files and added flag to select desired setup

CharlyEmpereurmot commented 3 years ago

Perfect