VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Jul 23 2014 - 07:04:10 CDT

On Wed, Jul 23, 2014 at 4:16 AM, karthik kumar <karthik3327_at_gmail.com> wrote:
> Dear VMD users,
>
> I am interested to create a data file for LAMMPS
> simualations for a triclinic crystalline system, where the atoms are
> connected across the boundary.
>
> (atoms on one end of the unitcell are connected to the other end)
>
> How can we make use of topotools to generate a datafile containing the
> connectivity across the boundaries?

you will have to add the corresponding Tcl script code to topotools.

axel.

>
> Thanks in advance
>
> Karteek
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.