From owner-chemistry@ccl.net Thu Apr 16 05:24:01 2009
From: "Neha Gandhi n.gandhiau .. gmail.com" <owner-chemistry],[server.ccl.net>
To: CCL
Subject: CCL: Missing parameters for AMBER force field
Message-Id: <-39087-090416052329-29320-gsdV3XHebrPatZRHza6LGw],[server.ccl.net>
X-Original-From: "Neha  Gandhi" <n.gandhiau|-|gmail.com>
Date: Thu, 16 Apr 2009 05:23:25 -0400


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!