I am trying to run a QM/MM calculation in Gaussian and I can't seem to get it to run properly. I fixed my protein structure so that there are no missing residues, etc. I've followed some tutorials on QM/MM but I still can't figure out what I'm doing incorrectly. This is the error from the .log file:
Charge and multiplicity card seems defective: Charge is bogus. WANTED AN INTEGER AS INPUT. FOUND A STRING AS INPUT.
This is my input file sample:
# opt freq oniom(b3lyp/6-31g:uff) nosymm guess=save geom=connectivity
Title Card Required
0 1 0 1 0 1
followed by coordinates
I've been playing with the charges and I still am getting errors. If anyone could help advise me on how to fix this issue I would be extremely grateful!