VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Nov 04 2013 - 07:31:29 CST

On Mon, Nov 4, 2013 at 1:41 PM, bharat gupta <bharat.85.monu_at_gmail.com> wrote:
>
>
>
> 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 ??

i don't understand the question. these numbers *are* the averaged
values. one for every grid point.

axel.

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