VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Oct 04 2010 - 16:02:13 CDT

On Mon, 2010-10-04 at 14:01 -0600, Charlotte Siska wrote:

charlotte,

> Whenever I try to use measure hbonds I get nothing but three empty
> lists. I have made sure that the index I use for my selection does not
> have hydrogen atoms, which was recommended in other postings in the
> mailing list. I think I am missing something.
>
> General code:
>
> measure hbonds 3.5 30 [atomselect top "index 5"]
>
> Any help would be greatly appreciated!

your selection has only one atom?
please reread the documentation. you have to have
to provide hydrogen bond donors and acceptors either
combined in one selection or as two selections.

http://www.ks.uiuc.edu/Research/vmd/current/ug/node133.html

cheers,
    axel.

>
> Charlotte Siska 

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