Dear AMBER UsersI posted an inquiry few weeks ago about ESP charge for Iodine, I didn't get any reply.I seek for a help, my molecule contains iodine and I don't know how to assign its charge during ESP step, 6-31G* basis set is not available for iodine, can I use cep-31g instead? I couldn't find any paper about this point.Help would be highly appreciatedthanks
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Received on Thu May 06 2010 - 13:30:03 PDT
