Thank you so much Daniel.
On Wed, Jul 23, 2014 at 7:27 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> You can use 'vector center' to print the XYZ coordinates of an atom, e.g.:
>
> vector center .1 out atom1.dat
>
> Will print the XYZ coordinates of the first atom to atom1.dat with format:
>
> <frame> <x> <y> <z> 0.0000 0.0000 0.0000
>
> So you will want the values in the 4th column.
>
> -Dan
>
>
> On Wed, Jul 23, 2014 at 3:34 AM, Him Shweta <shwetahim.gmail.com> wrote:
>
> > Dear All,
> >
> > I want to save Z-axis coordinates of atom of my interest from the
> > trajectories (mdcrd file). I wanted to know can it be done through ptraj
> or
> > cpptraj, Or is there any other way to print out the coordinates of
> > interest.
> > _______________________________________________
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> >
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Jul 23 2014 - 08:00:03 PDT
