[gmx-users] random seed in molecular dynamics

[Mark Abraham]

Google knows a lot more about that one than me ;-)

Mark


On Mon, May 6, 2013 at 9:16 AM, Preeti Choudhary <
preetichoudhary18111989 at gmail.com> wrote:

> hey thanks Mark....
> What do you mean by -the random seed is in a different variable.Can you
> please explain "the random seed"
>
>
>
> On Fri, May 3, 2013 at 1:32 PM, Mark Abraham <mark.j.abraham at gmail.com
> >wrote:
>
> > gen_vel controls the generation of random velocities. grompp follows it
> > (but I'd have to check the code to see what it does if you use grompp
> -t).
> > tprconv does not follow it.
> >
> > The random seed is in a different variable, but only does anything if
> > gen_vel=yes.
> >
> > I am not sure what the basis of your confusion about repeated calls to
> > grompp is.
> >
> > Mark
> >
> > On Fri, May 3, 2013 at 8:00 AM, Preeti Choudhary <
> > preetichoudhary18111989 at gmail.com> wrote:
> >
> > > hey this is regarding random seed used in md.this is when it selects
> the
> > > intial velocity and selects from maxwell-istribution.but is it selects
> > only
> > > once or selects this random seed every time when grompp makes .tpr
> > > file.really confused about this random seed concept.can u clear my
> > > confusion??
> > >
> > > -thanks
> > > --
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