VMD-L Mailing List

From: bharat gupta (bharat.85.monu_at_gmail.com)
Date: Mon Nov 04 2013 - 06:41:42 CST

Thanks for the reply Sir,

I got the volmap.dx file and I visualized it also, using Isosurface
representation. But I want to know that final average value . I checked the
volmap.dx file there are three columns with lots of zeros and sometimes
some values ... But still I didn't find the way to get the averaged value ??

On Mon, Nov 4, 2013 at 9:24 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> 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.
>