Re: [AMBER] Setting the random seed in Langevin dynamics

From: Deák Robert <>
Date: Wed, 3 Oct 2012 11:54:52 +0200


If you don't want to give the value of ig for every individual run, with
"ig=-1" you can set up randomly the seed, calculated from system wallclock.


2012/10/3 Sajeewa Pemasinghe <>

> Hi all,
> I am running MD of a protein for 20ns. I am going to use Langevin dynamics
> to fix the temperature. "To avoid synchronization artifacts I have to set
> a different value for the random seed at every restart." I want to get the
> above statement clarified a little more. Does that specifically mean each
> time my input file says "irest=1", I have to give a different number for
> "ig". If so,about the number I give to "ig" does it have a minimum and a
> maximum number of digits or can I just give any number as long as it was
> not repeated previously?
> Thank you
> Sajeewa Dewage
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Received on Wed Oct 03 2012 - 03:00:02 PDT
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