AMBER Archive (2009)

Subject: [AMBER] DivCon - QM/MM

From: s. Bill (s_bill36_at_yahoo.co.uk)
Date: Mon Aug 10 2009 - 09:11:39 CDT


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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