From chemistry-request.,at,.ccl.net Fri Jun 10 12:02:55 2005
Received: from web50308.mail.yahoo.com (web50308.mail.yahoo.com [206.190.38.62])
	by server.ccl.net (8.13.1/8.13.1) with SMTP id j5AG2prU024608
	for <CHEMISTRY{at}ccl.net>; Fri, 10 Jun 2005 12:02:51 -0400
Received: (qmail 28927 invoked by uid 60001); 10 Jun 2005 16:02:50 -0000
DomainKey-Signature: a=rsa-sha1; q=dns; c=nofws;
  s=s1024; d=yahoo.com;
  h=Message-ID:Received:Date:From:Subject:To:MIME-Version:Content-Type:Content-Transfer-Encoding;
  b=xMkS0uk0774zD5AcoWMWiyRhIQDRf7+Sj1max+zgv2qk2KfUNODsd22OQbLChwA9iy43k+r7fvSP9E2LGZfKLCtpkzHFtbWfzPb39vclH0g9iEbeQyDY52rR2DYKBezlNrrtYjdc3hBBfexqeCjXChk0PDHRKTF+BSV4bO6LeYE=  ;
Message-ID: <20050610160250.28925.qmail{at}web50308.mail.yahoo.com>
Received: from [164.68.15.202] by web50308.mail.yahoo.com via HTTP; Fri, 10 Jun 2005 09:02:50 PDT
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
MIME-Version: 1.0
Content-Type: text/plain; charset=iso-8859-1
Content-Transfer-Encoding: 8bit
X-Spam-Status: No, score=1.8 required=5.0 tests=DNS_FROM_RFC_ABUSE,
	DNS_FROM_RFC_POST autolearn=no version=3.0.3
X-Spam-Level: *
X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net

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

__________________________________________________
Do You Yahoo!?
Tired of spam?  Yahoo! Mail has the best spam protection around 
http://mail.yahoo.com