[Columbus] lic.pl and liic.x program related

prabhash mahata mahataprabhash at gmail.com
Fri Aug 4 09:29:02 EDT 2023


Hi  ,
In columbus, what is the basic of difference of the use of lic.pl and
liic.x  ?

I am stretching one bond with $COLUMBUS/lic.pl providing geom.ini and
geom.last using this option LIIC - TRANSFORMATION THROUGH PULAY INTERNAL
COORDINATES.  Am I doing correctly ?

Thanks,
Prabhash
*Prabhash Mahata*
Department of Chemistry
Johns Hopkins University
Baltimore, MD, USA
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