Re: [AMBER] How to get average from 3 repeated tracjectory

From: Setyanto Md <stwahyudi.md.gmail.com>
Date: Thu, 13 Oct 2016 22:08:45 +0700

Hi Hai,

I just want to make it simple. Usually I have to analysis rmsd, rmsf, etc
from three (3) trajectory (the result from three simulation).

Can we just analysis rmsd, rmsf, etc from one (1) trajectory, which is an
average from three (3) trajectory. ?

Thanks

Setyanto

On Thu, Oct 13, 2016 at 10:00 PM, Nhai <nhai.qn.gmail.com> wrote:

> Hi
>
> What do you want to learn from you that kind of averaging?
>
> Hai
>
> > On Oct 13, 2016, at 10:50 AM, Setyanto Md <stwahyudi.md.gmail.com>
> wrote:
> >
> > Dear Amber User and Developer,
> >
> > I just run 3 simulation from 3 different initial structure.
> > Then i get 3 trajectory.
> >
> > Instead of make analysis from each trajectory, I'd like to get a single
> > trajectory average from 3 trajectory.
> >
> > Is there any example command in cpptraj to get trajectory average from 3
> > different trajectory. ?
> >
> > Thank you
> >
> > Setyanto TW
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Received on Thu Oct 13 2016 - 08:30:03 PDT
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