VMD-L Mailing List
From: Ashar Malik (asharjm_at_gmail.com)
Date: Sat Jan 06 2018 - 07:04:01 CST
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One way would be to use "measure minmax" on a selection having your
nanotube.
That will return minmax on x/y/z coordinates of your nanotube.
Then repeat the same process for a selection of your entire system.
That will return minmax on x/y/z coordinates of the whole system.
Now you can select waters between
x-max of tube and x-max of system AND y-max of tube and y-max of system AND
z-max of tube and z-max of system OR (the same selection as before with
mins).
I think something like this (although it would need a few hit and trys)
would do what you want.
To make a selection like this have a look at this:
http://www.ks.uiuc.edu/Research/vmd/vmd-1.2/ug/vmdug_node137.html
This may not be the best way - but it is a way.
On Sun, Jan 7, 2018 at 1:06 AM, Suresh Ghimire <
suresh.ghimire2049sg_at_gmail.com> wrote:
> Dear vmd user,
> I am not being able to remove water outside of carbon nanotube after
> addition of my water solvation box. How can I remove water molecule outside
> the tube such that water lies only inside the tube ?. Here I am working on
> different physical behavior of water inside carbon nanotude : it can be use
> for water purification.
>
>
>
> --
> Student/Researcher
> Tribhuvan University, Patan Multiple Campus
> Lalitpur, Nepal
>
-- Best, /A
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