Re: [AMBER] About RMSD calculations

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Thu, 14 Oct 2010 17:01:58 -0700

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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Received on Thu Oct 14 2010 - 17:30:03 PDT
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