From: Axel Kohlmeyer (
Date: Wed Jul 23 2014 - 07:04:10 CDT

On Wed, Jul 23, 2014 at 4:16 AM, karthik kumar <> 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.


> Thanks in advance
> Karteek

Dr. Axel Kohlmeyer
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.