Thank you Robi.
Sajeewa
On Wed, Oct 3, 2012 at 10:25 AM, Deák Robert <kokumetto.gmail.com> wrote:
> 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 - 09:00:02 PDT
