Re: Qustion about calculation of pressure

From: James W. Caldwell <caldwell_at_heimdal.compchem.ucsf.edu>
Date: Thu 12 Sep 2002 09:43:25 -0700 (PDT)

If you have frozen atoms then any calculation of "pressure"
is not really meaningful.

jim
  

On Thu, 12 Sep 2002, Nikolai Smolin wrote:

>Dear AMBERs,
>
>I used AMBER6. I have question: if I have MD simulation with
>frozen atoms how calculated pressure? Only for moving atoms
>or for whole systems?
>
>Thanks in advance!
>
> 


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Received on Thu Sep 12 2002 - 09:43:25 PDT
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