VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Apr 15 2013 - 03:17:05 CDT

On Sun, Apr 14, 2013 at 11:30 PM, Anurag Sharma
<Anurag.Sharma_at_my.ndsu.edu> wrote:
> Hi,
>
> I have build a CNT using VMD. I am able to construct psf file using topo tools which has bonds, angles and dihedrals. But I am getting 0 impropers every time. Can somebody tell me how to deal with this problem.

why do you need to use topotools directly? the nanotube builder plugin
already calls topotools with the proper settings and should create the
suitable impropers, if selected in the GUI.

axel.

p.s.: of course you could easily look up the corresponding commands
*in* the nanotube plugin script.

>
> Thank you
>
> Anurag Sharma
>
> 

--
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.