AMBER Archive (2008)

Subject: Fwd: AMBER: (no subject)

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Wed Feb 06 2008 - 02:00:23 CST

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

> Date: Mon, 4 Feb 2008 06:07:26 -0800 (PST)
> From: Syed Tarique Moin <tarisyed_at_yahoo.com>
> To: amber_at_scripps.edu
> Subject: AMBER: (no subject)
>
> Hello,
>
> we want to go simulation studies, using AMBER 9.0
> of a protein having two copper ions in +2 state and
> each of copper is coordinated with three histidine
> residues. I am trying to simulate using the advanced
> tutorial of non-standard residues which is present
> on
> the amber website. The problem is that the either
> distance between the copper increase or decreases
> during minimization, either due to increased
> repulsion
> or attraction with the histidine residues. Therefore
> i
> want to calculate RESP charge of this coordinated
> system.
>
>
> Regards
>
>
> ---------------------------------
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