Hi CCLers, Is it any effect if I use different basis sets for optimisation and point calculation? I did hf/sto-3g optimisation and want to use hf/6-31g* basis set for pop=mk calculation (Gaussian 98) and use the result for RESP calculation (Amber). Is it tolerable to do that? Is it any significant differences if I use hf/6-31g* for optimisation? Regards, Bimo -- Get your free email from www.linuxmail.org Powered by Outblaze