Fatal error Step 3 - example 1dpx.pdb

GunnerLab / Stable-MCCE

Stable version of MCCE.

MIT License

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Fatal error Step 3 - example 1dpx.pdb #238

Closed tkcaccia closed 1 year ago

tkcaccia commented 1 year ago

I report this issue in the step3.py

WARNING: Delphi failed at focusing depth 1 of NTR01A0001_001, retry FATAL: too many failed delphi runs (10), quitting... Fatal error reported by conf_energies(), QUIT. 11:17:05: Thread 0: finishing 11:17:09: Main: join thread 0 11:17:09: Main: Done

newbooks commented 1 year ago

This is usually caused by delphi error. To test it, run

delphi

Check if delphi program can run.