VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Nov 04 2013 - 06:24:14 CST

On Mon, Nov 4, 2013 at 11:49 AM, bharat gupta <bharat.85.monu_at_gmail.com> wrote:
> Hi,
>
> I have used the volmap plugin to calculate the water density around residues
> 115-118 of my protein. I checked it by displaying it as an isosurface. I
> want to know whether is it possible to get the final average value (i.e.
> water density averaged over all time steps) used to depict the plot??

yes, if you check the "compute for all frames" button.

http://www.ks.uiuc.edu/Research/vmd/plugins/volmapgui/

you can have the final data either added to your molecule or saved as
a .dx file.

axel.

>
>
> Thanks in advance for help..
>
> Regards
> -----
> Bharat 

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