--- On Mon, 10/8/09, s. Bill <s_bill36.yahoo.co.uk> wrote:
From: s. Bill <s_bill36.yahoo.co.uk>
Subject: [AMBER] DivCon - QM/MM
To: "AMBER" <amber.ambermd.org>
Date: Monday, 10 August, 2009, 2:11 PM
Dear AMBER
I am doing QM/MM simulation using DivCon (idc=1). In divcon.in I should specify the Cartesian coordinations of QM part only, shouldn't I? and what about the link atom?
A help needed please And i would be so grateful if you can support me with an input example.
Thanks in advance
s. bill
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Received on Wed Aug 19 2009 - 21:23:36 PDT
