VMD-L Mailing List

From: Shane.OMahony (Shane.OMahony_at_ul.ie)
Date: Tue May 26 2015 - 15:11:09 CDT

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.

Regards,
Shane