UFF modification in Gaussian
- From: Nhat Le Minh <nworld3d{at}yahoo.com>
- Subject: UFF modification in Gaussian
- Date: Fri, 10 Jun 2005 09:02:50 -0700 (PDT)
Dear CCL subscribers:
My name is Alex Le. I'm trying to find a way to modify the UFF parameters to
incorporate a new
atom type. I wonder if there is anyone who has been successfully at customizing
the parameters in
any software. And if it is possible, would you please tell me the procedure? I
have tried to add
the customized parameter at the end of a G03 input com file but still, there is
something missing
and the manual of G03 about the MM Force Field is not adequate in terms of
explanation.
I hope to receive some hints or suggestion soon.
With best regards,
Alex Le.
Nhat Minh Le (Alex Le)
Delta Chi - Brotherhood of a Lifetime
nworld3d{at}yahoo.com
www.247lfc.com | www.sr3d.net
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