Fred

Does the .gam have a final geometry? You'll need to check because performing a QM geometry minimisation is not straight forward.

BTW. A PDB file is the lowest quality input format. It's recommended that you try for a most information rich input such as SMILES or mol2.

Cheers

Nigel

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Nigel W. Moriarty
Building 33R0349, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty@LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov