> 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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Received on Tue Nov 11 2003 - 16:53:00 PST
