From: Axel Kohlmeyer (
Date: Wed Oct 12 2011 - 16:46:59 CDT

On Wed, Oct 12, 2011 at 4:45 PM, kirtana S <> wrote:
> I am trying to build a lammps input file using the topotools tutorials . In
> tutorial part 2 , how should I modify the .tcl
> script to construct a chain instead of monomers.

part 1 gives you an example for how to construct a bond list.
if your chain is more complicated, you have to write additional Tcl code.
the tutorial is by definition only showing you the principles;
how you apply it to a real world case, is your job.


> Thanks
> kirtana

Dr. Axel Kohlmeyer
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.