Re: [AMBER] Energy of Water Molecules

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 11 May 2010 11:16:17 -0700

> Is there any way to compute energy of each water residue.
> I want to see how the energy of water molecule changes
> when it enters inside solute.

If a rigid water model is used (like TIP3), the internal energy of
each water residue will be the same wherever it is.

Bill

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Received on Tue May 11 2010 - 11:30:05 PDT
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