[AMBER] Setting the random seed in Langevin dynamics

From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Tue, 2 Oct 2012 23:57:37 -0400

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 Tue Oct 02 2012 - 21:00:03 PDT
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