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Using qclean

By giving the command
    qclean
intermediate files will be removed. All files matching
    *_*_*.dinf   *_*_*.dval   *_*_*.drst   *_orig_*.set   *_explo_*.set
will be removed. The command first list the files, and asks for confirmation.

The .set files contain coordinates, the other files contain restraint data.

These intermediate files are the result of running 'aqpc' with the -c option. The presence of intermediate .set files speeds up the calculation if the analysis is repeated with a different restraint file or a (different) ranges file. (Note that in this case the output files will be overwritten since they have the same project name, cf. 'qhelp aqpc'). If, however, the contents of the coordinate file have changed all intermediate files should be removed by 'qclean' before repeating 'aqpc'.


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