VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Sat Jan 06 2018 - 07:04:01 CST

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