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  • tests/Fragmentations/Fragmenting/N_N-dimethylacetamide/testsuite-fragmenting-N_N-dimethylacetamide-order1.at

    r99b0dc rb9c69d  
    1414AT_CHECK([chmod u+w $file], 0)
    1515
    16 AT_CHECK([../../molecuilder -i $file -I --select-molecule-by-id 0 -f $FILENAME --order 1 --distance $DISTANCE  --output-types "mpqc pcp xyz"], 0, [stdout], [stderr])
     16AT_CHECK([../../molecuilder -i $file -I --select-molecule-by-id 0 -f $FILENAME --order 1 --distance $DISTANCE  --output-types mpqc pcp xyz], 0, [stdout], [stderr])
    1717AT_CHECK([ls ${FILENAME}*.conf | wc -l | grep $FragNo], 0, [ignore], [ignore])
    1818AT_CHECK([ls ${FILENAME}*.xyz | wc -l | grep $FragNo], 0, [ignore], [ignore])
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