VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed May 27 2015 - 22:37:02 CDT

On Tue, May 26, 2015 at 4:11 PM, Shane.OMahony <Shane.OMahony_at_ul.ie> wrote:
> Hi all,
>
> I was wondering if the Density profile tool updates the selection when you calculate the density for more than one frame. I'm selecting all water oxygens in a box centered around the z-axis and z >0. When I calculated the density for the last frame, the graph goes from z=0 onwards. However, when I calculate the density for multiple frames (or even single frames besides the last one), the graph includes negative z values which shouldn't be included. This leads me to think that the tool only does the selection at the current frame and includes these atoms as they leave the volume being studied.

this is an external plugin for VMD, you'll have to contact its author
about it or post in the designated mailing list or forum.

axel.

>
> Regards,
> Shane
> 

-- 
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.