VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Dec 10 2014 - 08:46:14 CST

On Wed, Dec 10, 2014 at 9:12 AM, George Patargias <gpat_at_bioacademy.gr> wrote:
> Hello,
>
> Is there any way to select only the phi and psi dihedrals with TopoTools?

no.

>
> The commands:
>
> topo guessdihedrals
> topo getdihedrallist
>
> select all the dihedrals.

but you should be able to restrict getdihedrallist with a selection to
the backbone and then postprocess that list further based on the usual
naming conventions for backbone atom types/names.

>
>
> Many thanks.
>
> George
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.