Re:Re: AMBER: Cu++ and RED

From: Cenk Andac <>
Date: Sat, 12 Mar 2005 10:39:10 -0800 (PST)

Hi Francois,

Manual says I have RED-I. Perhaps RED-II can handle my
problem. Where can I get RED II?
As far as I understand from your Mail, is there any
other instructions that you may have sent in you last
You wrote:
>(same atom order
> in the two files, see below)

perhaphs, I did not receive rest of your Mail.

Anyway, I'll try to run GAMESS without RED and send
you the output.


--- FyD <> wrote:
> Do you use R.E.D.-I or R.E.D.-II ?
> Could you do this ?
> From this PDB file, create a GAMESS geometry
> optimization input (same atom order
> in the two files, see below) and run GAMESS opt. job
> _without_ R.E.D. You have
> to provide the total charge of your molecule in this
> file...
> Can you get the optimized geometry ? If yes send me
> this output and I will work
> on your problem. Next week it is the ACS meeting, so
> I will not be a lot in the
> lab...
> regards, Francois
> F.-Y. Dupradeau
> DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
> The Scripps Research Institute, La Jolla, CA, USA
> --

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Received on Sat Mar 12 2005 - 18:53:00 PST
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