AMBER Archive (2008)

Subject: AMBER: RESP

From: Syed Tarique Moin (
Date: Tue Jan 08 2008 - 06:41:56 CST


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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