From: Majid Shahbabaei (
Date: Mon Oct 19 2015 - 02:08:37 CDT

Dear Ashar,

My model composed of free oxygen and hydrogen atoms. So, I am going to see
an oxygen tom.
Yes, I meant that I can see it while crossing the CNT length.

Thanks in advance

*Majid *

On Mon, Oct 19, 2015 at 4:01 PM, Ashar Malik <> wrote:

> Dear Ashar,
>> Thanks for your quick answer and sorry for my unclear explanations.
>> Actually, I am simulating water transport through CNT. I have more than
>> 2000 oxygen atoms and 6000 hydrogen atoms alongside 2000 carbon atoms (are
>> frozen). I would like to follow (trace or track) an oxygen atom which
>> crosses through CNT length.
>> Thanks in advance
> Please reply on the mailing list and not just to me.
> If you are simulating water, you should track a water molecule and not an
> oxygen atom. You will not even have (free) oxygen atoms in your system.
> When you say follow, do you mean you want to "SEE" it or do you want an
> output in some way.