Hi,
Thanks Marcin,this part works now after putting the brackets but now after starting the script model-loop.py I am getting:
'import site' failed; use -v for traceback Traceback (most recent call last): File "model-loop.py", line 15, in ? a.starting_model= 1 # index of the first model TypeError: 'tuple' object has only read-only attributes (assign to .starting_model)
in my input file I have:
a.starting_model= 1 # index of the first model a.ending_model = 1 # index of the last model # (determines how many models to calculate) a.md_level = None # No refinement of model
a.loop.starting_model = 1 # First loop model a.loop.ending_model = 4 # Last loop model a.loop.md_level = refine.fast # Loop model refinement level
How should I define the starting model? What is exactly the "index of the first model"? Thank you in advance for any help
Best Regards, Urszula
MSc.PhD Student Medicinal Chemistry Group University of Halle-Wittenberg