In a QM/MM job, I got this error
Include all MM classes
Angle bend undefined between atoms 5983 5985 6621 OW-HW-HW [H,H,L]
Angle bend undefined between atoms 5985 6621 6619 HW-HW-OW [H,L,L]
MM function not complete
I user 'parmlookup' from taopackage to get the missing MM parameters. But even after adding the parameteres I got in the .txt file, same error is showing repeatedly.
Can anyone kindly help?