Re: [AMBER] Kinetic Energy

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 13 Jan 2016 19:42:03 -0500

On Wed, Jan 13, 2016 at 6:54 PM, Wong Li Zhe <Wong.LiZhe.student.imu.edu.my>
wrote:

> Dear all,
>
>
> I am having problem with plotting the 'summary_avg Kinetic energy' graph,
> especially when I combine the potential and total energy.


​Why would you combine these two? Kinetic and potential combine to give
total... potential and total don't combine to give anything (except that
total - potential = kinetic).



>
> It is however when I plot the kinetic graph individually, I managed to get
> it in a more meaningful presentation.
>
> Been trying to adjust the scales and etc. but it still looks the same.
>
> Would anyone be able to enlighten me on that?
>

​I'm completely lost on what you are even trying to do. What did you do?
What commands did you run? What are you trying to see? What are you
actually seeing?

From the sound of it, you're trying to use process_mdout.perl? Then
plotting some of the data (but how)?

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jan 13 2016 - 17:00:04 PST
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