VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Aug 05 2011 - 16:15:47 CDT

Hi,
  VMD should let you write the coordinates to an XYZ file, as I believe
the plugin includes writing capability. Can you tell us more specifically
what you tried to do that didn't work?

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Aug 03, 2011 at 05:39:47PM -0700, winardi, erik wrote:
> Dear VMD Community,
> I am looking for some information about how to use VMD to output the
> coordinates of atoms (in the xyz format) of the molecular system. I have
> the initial coordinates of the molecular system in the ".car" format and
> the trajectory of atoms saved at each specified time step during the
> numerical calculations by the LAMMPS code which is ".xyz" format. Both
> files can be read into VMD and animate the evolution of various molecules
> in the system. However, I cannot find a way to output the coordinates of
> atoms at one instance in the .car or .xyz format. Could anybody help me ?
> Many Thanks!
> Erik Winardi
> Student at UAB 

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