VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Nov 04 2013 - 08:21:26 CST

On Mon, Nov 4, 2013 at 2:23 PM, bharat gupta <bharat.85.monu_at_gmail.com> wrote:
> Thanks, Sir. I think that will help. But still, I didn't find the way to get
> those average values used in calculation of water density by Volmap.

because what you are asking for is an ill-defined property. it doesn't
make much sense to average over the volume since that average will
strongly depend on your choice of volume and grid resolution.

axel.

>
>
> On Mon, Nov 4, 2013 at 10:21 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>>
>> On Mon, Nov 4, 2013 at 1:07 PM, bharat gupta <bharat.85.monu_at_gmail.com>
>> wrote:
>> > Hi,
>> >
>> > I have found out how to label the atoms, but I was not able to find any
>> > thread regarding labeling of residues ... Can anybody tell me how can I
>> > do
>> > that ??
>>
>> please have a closer look at the VMD user's guide.
>>
>> you need to label atoms but you can select the fields that are
>> available and the residue id is one of them.
>> you can also place arbitrary labels with arbitrary text anywhere in
>> space using the scripting language, so you can write a small script
>> identifying residues, computing a suitable location and placing a
>> custom label there.
>>
>> axel.
>>
>> >
>> > --
>> > Bharat
>> >
>> >
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
>> International Centre for Theoretical Physics, Trieste. Italy.
>
>
>
>
> 

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