Hello,
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).
Thanks!
--
Kat Russell
Alfred University
B.S. Glass Science and Engineering Candidate Dec 2012
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 07 2012 - 08:30:02 PDT
