Re: [AMBER] rmsd problem

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Mon, 11 Jan 2010 17:31:02 -0800 (PST)

> Thanks for the suggestion. It is possible that water and ions cause the dif
> ferent behavior. I will check their postion to make sure.

To minimize artifacts in this effect, it could help to keep the solute fixed
while allowing water and ions to equilibrate.

Bill

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Received on Mon Jan 11 2010 - 18:00:02 PST
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