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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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MD run failed(unstable simulation was killed, with unstable = NOT writing in log file for 60 sec) #46

Open zdworld opened 11 months ago

zdworld commented 11 months ago

when running the optimization cycle 3， each step print an error info like:

Starting iteration 267 at 15:56:08 on 20-10-2023
  MD run failed (unstable simulation was killed, with unstable = NOT writing in log file for 60 sec)
  Iteration time: 8.73 min

but the log file is writed normally. md.log