AMBER Archive (2008)

Subject: Fwd: AMBER: Negative ligand (Peroxide)

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Mon Mar 10 2008 - 00:59:43 CDT

--- Syed Tarique Moin <tarisyed_at_yahoo.com> wrote:

> Date: Sat, 8 Mar 2008 03:36:56 -0800 (PST)
> From: Syed Tarique Moin <tarisyed_at_yahoo.com>
> Subject: AMBER: Negative ligand (Peroxide)
> To: amber_at_scripps.edu
>
> 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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