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

md run failing #45

Open summer-noon opened 1 year ago

summer-noon commented 1 year ago

Starting iteration 4 at 14:14:40 on 12-10-2022 MD run failed (simulation process terminated with error) Iteration time: 0.5 min

Even the distribution plots are not appropriate. Kindly tell me how to resolve this issue.