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Hello all, Kindly disregard my message about monomer libraries. The problem ( atoms blowing apart) seems to be due to something (yet undetermined) else. Thank you for clearing up ones about COM_COM. However, I still wonder if I can add my own ligand libraries to the default one, like you can do for ONO. Arti Pandey Arti S. Pandey Graduate Student Chemistry and Biochemistry Montana State University Bozeman,MT 59717