I am trying to apply these tutorials to my structure. but It is always
giving to this error: Traceback (most recent call last):
File "/usr/local/amber20/bin/MCPB.py", line 581, in <module>
raise pymsmtError('%s is required in naa_mol2files but not '
pymsmt.exp.pymsmtError: LIG is required in naa_mol2files but not provided.
If I am not wrong "2naa_mol2files " is defining to my ligand part.