Re: [AMBER] Looking for parameters

From: FyD <>
Date: Thu, 09 Aug 2012 18:54:38 +0200

Dear Kat,

If you are interested in charge values for your Cerium complex, you
could use R.E.D. Server Development .
'R.E.D. Server Development' handles all the elements of the periodic
table (but a few ones) compared to 'R.E.D. Server'.


regards, Francois

> I only started using AMBER last week, but I am looking for the parameters
> for a cerium oxygen compound. I found information on Organocerium
> chemistry, so I am assuming that someone else has done work in this area.
> If you could help me locate the information, I would greatly appreciate it.
> We have decided that there is no immediate need to use QM parameters or do
> QM calculations, so a paramfit is a little extensive. This is more of a
> superficial simulation, but our current simulation programs are not meant
> for organic molecules. (I will be grouping the ceria informations with an
> animo acid).

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Received on Thu Aug 09 2012 - 10:00:04 PDT
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