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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Received on Wed Jul 23 2014 - 07:30:03 PDT
