From chemistry-request@server.ccl.net Mon Mar 11 10:09:38 2002
Received: from salmon.maths.tcd.ie (mmdf@[134.226.81.11])
	by server.ccl.net (8.11.6/8.11.0) with SMTP id g2BF9b504937
	for <chemistry@ccl.net>; Mon, 11 Mar 2002 10:09:38 -0500
Received: from bell.maths.tcd.ie by salmon.maths.tcd.ie with SMTP
          id <aa09997@salmon>; 11 Mar 2002 15:09:02 +0000 (GMT)
Date: Mon, 11 Mar 2002 15:08:59 +0000 (GMT)
From: Gemma Kinsella <maynooth@maths.tcd.ie>
To: chemistry@ccl.net
Subject: new atom types in force fields
Message-ID: <Pine.BSF.4.40.0203111505530.20035-100000@bell.maths.tcd.ie>
MIME-Version: 1.0
Content-Type: TEXT/PLAIN; charset=US-ASCII

Hi folks,

I am trying to add new atom types to amber/gromos/charmm force fields for
a drug model. Is there an easy way (ie a utility program) to do this? Or
can anybody give me some pointers as to how to go about it.

Thanks,

Gemma




