[AMBER] Looking for parameters

From: Kat Russell <katjrussell.gmail.com>
Date: Tue, 7 Aug 2012 11:22:51 -0400


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).


Kat Russell
Alfred University
B.S. Glass Science and Engineering Candidate Dec 2012
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Received on Tue Aug 07 2012 - 08:30:02 PDT
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