Hello,
I want to calculate RESP charge of copper+2
coordinated with three histidine residues.
I have optimized it but now i want to calculate single
point calculation using b3lyp/cc-pVTZ but following
error occurs!
Standard basis: CC-pVTZ (5D, 7F)
Atomic number out of range in ccpVTZ
Can anyone guide me in this regard
Thanks in advance
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Received on Wed Jan 09 2008 - 06:07:23 PST
