VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Oct 12 2011 - 16:46:59 CDT
- Next message: John Stone: "Re: Re: amber traj to pqr - radii error"
- Previous message: kirtana S: "topotools"
- In reply to: kirtana S: "topotools"
- Next in thread: kirtana S: "Re: topotools"
- Reply: kirtana S: "Re: topotools"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
On Wed, Oct 12, 2011 at 4:45 PM, kirtana S <skirtana4_at_gmail.com> 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.
http://sites.google.com/site/akohlmey/software/topotools/topotools-tutorial---part-1#TOC-Step-1d:-Automatic-bond-detection-d
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.
cheers,
axel.
>
> Thanks
> kirtana
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
- Next message: John Stone: "Re: Re: amber traj to pqr - radii error"
- Previous message: kirtana S: "topotools"
- In reply to: kirtana S: "topotools"
- Next in thread: kirtana S: "Re: topotools"
- Reply: kirtana S: "Re: topotools"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]