Hi Sajeewa,
In
http://ambermd.org/tutorials/advanced/tutorial3/section1.htm can read
about random seed: "If you are using AMBER 10 (bugfix.26 or later) or AMBER
11 or later you can do this automatically by setting ig=-1 in the cntrl
namelist."
So I think you just have to apply the bugfixes or upgrade to AMBER12, as
mentioned Adrian.
Robi
2012/10/3 Sajeewa Pemasinghe <sajeewasp.gmail.com>
> Thank you Robi. The problem is I am using Amber10 so I don't think ig=-1
> option is available, that is why I was asking about the specifics of the
> value for ig.
>
> Sajeewa
>
> On Wed, Oct 3, 2012 at 5:54 AM, Deák Robert <kokumetto.gmail.com> wrote:
>
> > Hi,
> >
> > 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.
> >
> > Best,
> > Robi
> >
> > 2012/10/3 Sajeewa Pemasinghe <sajeewasp.gmail.com>
> >
> > > 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 - 07:30:02 PDT
