I am trying to run example 6 of the polymatic code & getting this error. Can anyone suggest what might be cause that I sould look for?
Polymatic Simulated Polymerization
Parameters
----------
Initial bonds: 0
Total bonds: 49
Bonds per cycle: 5
Frequency of MD type 2: 3
Maximum bond attempts: 20
Polymerization Loop
-------------------
Initialization:
Step 0:
Error: Directory 'step_000' already exists.