Re: [AMBER] About RMSD calculations

From: hong-bin Xie <xhbxhb1980224.gmail.com>
Date: Thu, 14 Oct 2010 17:11:15 -0700

Hi Bill:

 Thank you very much.

Best wishes
Hongbin

On Thu, Oct 14, 2010 at 5:01 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> RMS fitting involves positioning one set of coordinates to minimize
> the RMS with another set. Take two triangles in different countries:
> the rms between them is huge. Now we put them together, and if they
> are the same dimensions the rms is 0.
>
> A wrinkle is mass-weighting: with it, heavier atoms contribute more
> to the rms than lighter ones.
>
> Bill
>
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-- 
Best Wishes
Sincerely Yours
Hong-bin Xie
---------------------------------------------------------------
Hong-bin Xie
Postdoctoral Researcher
Department of Chemistry
University of California at Irvine
Email:xhbxhb1980224.gmail.com <Email%3Axhbxhb1980224.gmail.com>
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Received on Thu Oct 14 2010 - 17:30:04 PDT
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