Alex Granovsky
gran@classic.chem.msu.su
no, it will not. Actually, you need to define this bond as one
of the variables used to construct Z-matrix in $zmat group.
Assume it is variable #1. Then
$STATPT IFREEZ(1)=1 $END
will freeze this variable.
Alternatively, you can use DLCs and ifzmat array to freeze internals.
regards,
Alex Granovsky
On Thu Jul 8 '10 7:58am, Vasily wrote
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>$CONTRL COORD=ZMT $END
>$STATPT IFREEZ(1)=1,2 $END
>Will a firefly program freeze only bond length between 1-st and 2-d atoms in this case?