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Date: Fri, 10 Jun 2005 09:02:50 -0700 (PDT)
From: Nhat Le Minh <nworld3d{at}yahoo.com>
Subject: UFF modification in Gaussian
To: CHEMISTRY{at}ccl.net
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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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