From owner-chemistry@ccl.net Thu Apr 16 07:41:00 2009
From: "Mikolaj Feliks mikolaj.feliks%a%pwr.wroc.pl" <owner-chemistry .. server.ccl.net>
To: CCL
Subject: CCL: Missing parameters for AMBER force field
Message-Id: <-39088-090416072447-32161-MT6U0O+Iomwm1tCkS/6kqg .. server.ccl.net>
X-Original-From: Mikolaj Feliks <mikolaj.feliks!A!pwr.wroc.pl>
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Date: Thu, 16 Apr 2009 12:48:45 +0200
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Sent to CCL by: Mikolaj Feliks [mikolaj.feliks a pwr.wroc.pl]

 Hi,

 in case of missing parameters you can always take a look at GAFF and
maybe even try to use antechamber to automatically adjust the parameteres for
your molecule. Both of these you can find at http://ambermd.org/antechamber/antechamber.html

 Good luck!, mfx

On Thu, Apr 16, 2009 at 05:23:25AM -0400, Neha Gandhi n.gandhiau .. gmail.com wrote:
> 
> Sent to CCL by: "Neha  Gandhi" [n.gandhiau.[].gmail.com]
> Dear List,
> 
> I am running simulations using amber ff. I am looking for angle parameters
> for CM-CT-N (amber atom types) where CM is the sp2 carbon in alkene, CT is
> sp3 carbon and N is sp2 nitrogen in amide group.
> 
> Many thanks!>