Hello,
I want to calculate RESP of copper bonded with
histidine,
ESP calculation is carried out after geometry
optimization at the HF-3-61G*, Now i want to calculate
RESP but resp module of amber won't be able to
recognize copper.
Seeking for assistance
Regards
Syed Tarique Moin,
Junior Research Fellow,
H.E.J. Research Institute of Chemistry,
International Center for Chemical and Biological Sciences,
University of Karachi, Karachi-75720, Pakistan
tarisyed.yahoo.com
tarisyed.hotmail.com
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Received on Sun Feb 03 2008 - 06:07:12 PST
