From: Syed Tarique Moin <>
Date: Tue, 8 Jan 2008 04:41:06 -0800 (PST)


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

Be a better friend, newshound, and
know-it-all with Yahoo! Mobile. Try it now.;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jan 09 2008 - 06:07:23 PST
Custom Search