VAL error
Created by: micmalti
I'm getting this error:
Traceback (most recent call last):
File "pdb2lmp.py", line 299, in <module>
conv.collect_types()
File "pdb2lmp.py", line 99, in collect_types
dbmol = self.moldb.molecules[mol.name]
KeyError: 'VAL'
I suspect that I should modify the pdb2lmp.py such that it recognizes the .pdb file which I'm trying to convert. Could you kindly tell me what I must do?