AMBER Archive (2003)

Subject: Re: AMBER: RMSd per residue

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Nov 11 2003 - 10:20:20 CST

> Can you give me good example of carnal input file for RMSd measurement
> for every residues?
>
> ...
> RMS r1 ...
> ...
> OUTPUT
> TABLE tab1 r1;
> END

I believe this should work:

   TABLE tab1 r1%residues;

>From the manual:

OUTPUT

TABLE tbid { column_list } ;
 ... RMS ids default to the rms of the group, while rmsid%residues
and rmsid%atoms give per-residue and per-atom rms respectively.
For per-residue rms, the group must not have any partially-included
residues. If either per-residue or per-atom options are used, the
statistics are printed in the summary with the residue and atom names.

Bill Ross

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