AMBER Archive (2008)

Subject: AMBER: Negative ligand (Peroxide)

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Sat Mar 08 2008 - 05:36:56 CST

Hello,

I am studying on a metalloprotein complex containing
two copper Cu+2 ions and an inhibitor peroxide anion
(O2-), peroxide is present in between these two copper
but after energy minimization, it is out of these
range.

Anyone can give me suggestion.

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