AMBER Archive (2008)

Subject: AMBER: (no subject)

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Wed Jan 30 2008 - 23:31:24 CST

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_at_yahoo.com
tarisyed_at_hotmail.com

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