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By-residue RMS Deviation

The RESIDUE command is used to obtain a by-residue RMS deviation on the currently specified RMS atoms in the currently specified RMS zone. If no RATOMS and RZONE commands have been used, the atoms and zones used for the fitting will be used.

The RESIDUE command may be followed by an optional filename parameter in which case output is directed to the specified file. If the file cannot be opened or a filename is not specified, output appears on the screen. If the first character of the filename is a pipe character ($\mid$), then the results will be piped into the specified program. For example:

   RESIDUE |less
will cause the results to be displayed on the screen using the less pager program.



Andrew C.R. Martin
2002-07-19