[AMBER] Regarding running to independent simulations

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Sat, 25 Apr 2015 12:10:36 +0200

Dear Amberists,

Just a small query. I am planning to run two independent production run
from a equlibrated system (equi.rst file).

I am setting up md.in with keywords irest=0 and ig=-1. Am I doing right? I
believe setting up irest=0 with ig==1 will start an independent simulation
from the last restart file (equil.rst).

Or if I only add irest=1 and ig=-1 then the ig=-1 will add random seed to
each simulation which will make them independent.

Please clarify.

Regards,
SB

-- 
Thanks & Regards;
Soumendranath Bhakat
Research Assistant, Division of Biophysical Chemistry, CMPS, Lund
University, Sweden
Homepgae: https://cbiores.wordpress.com/
Past: Molecular Modelling and Drug Design Research Group
Discipline of Pharmaceutical Sciences
UKZN, Westville
Weblink: http://soliman.ukzn.ac.za/Home.aspx
and Department of Pharmaceutical Sciences
Birla Institute of Technology, Mesra, India
in.linkedin.com/pub/soumendranath-bhakat/15/79b/b9/
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Received on Sat Apr 25 2015 - 03:30:03 PDT