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Re: How can I freeze a bond length

Alex Granovsky
gran@classic.chem.msu.su


Hi,

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
-------------------------------------
>$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?


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