Re: Re[2]: AMBER: rmsd over residues using ptraj

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 19 May 2004 11:34:08 -0700 (PDT)

> That will align the proteins only based on the marked residue
> but not the whole protein. That will cause error.

The carnal version allows simply "rmsid%residues" to get the
per-residue rms in a table, where the protein can be positioned
to fit to any subset of atoms in the reference frame including
(default) all atoms.

Bill
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Received on Wed May 19 2004 - 19:53:00 PDT
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