AMBER Archive (2009)

Subject: Solved thanks Re: [AMBER] DivCon - QM/MM

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--- On Mon, 10/8/09, s. Bill <s_bill36_at_yahoo.co.uk> wrote:

From: s. Bill <s_bill36_at_yahoo.co.uk>
Subject: [AMBER] DivCon - QM/MM
To: "AMBER" <amber_at_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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• Previous message: Bill Ross: "Re: [AMBER] Re: How to solve the problem "RESTARTED DUE to LINMIN FAILURE""
• In reply to: s. Bill: "[AMBER] DivCon - QM/MM"
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