[AMBER] Restarting MD production run

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Sat, 11 Oct 2014 14:21:41 +0200

Dear All;

I am running a long range MD simulation with the following md.in file.

Due to exceed in walltime if the production run stops *can I restart the a
continuation MD to finish the required number of steps by mentioning
irest=1* ?

current md.in file

Equilibration Step of MMP3 (MMMM): stage-1
  imin= 0,

Thanks & Regards;
Soumendranath Bhakat
Molecular Modelling and Drug Design Research Group
Discipline of Pharmaceutical Sciences
UKZN, Westville
Weblink: http://soliman.ukzn.ac.za/Home.aspx
Past: Department of Pharmaceutical Sciences
Birla Institute of Technology, Mesra, India
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Received on Sat Oct 11 2014 - 05:30:02 PDT
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