VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Apr 28 2010 - 04:46:11 CDT

On Wed, Apr 28, 2010 at 1:19 AM, Chenchen Wang <dvdcwangcc_at_gmail.com> wrote:
> Hi,all
>
> I just started to use VMD, and I want to use the topotools to get the
> topology information of polyethylene chain.But for number of bonds,I get the
> correct information,but for angles,dihedrals and impropers, it gives 0. I
> don't understand why.Can anyone help me with this?

VMD can only show you the information you provide
and this depends on the file format that you are using.

please explain on more detail the steps that you perform
and the commands that you use and perhaps there is a
way to help you. with the present amount of information,
i can only say that you must be doing something wrong.

cheers,
    axel.

> Angles:0 Dihedrals:0 Impropers:0 Cross-terms:0
> Bondtypes:0 Angletypes:0 Dihedraltypes:0 Impropertypes:0
>
> Thank you!
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
http://sites.google.com/site/akohlmey/
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.