[molpro-user] constraint cartesian coordinates during geometry optimization

[Joonghan Kim]

Dear users

I would like to perform geometry optimization with fixing cartesian
coordinates.
Actually, I tried to do it,

{optg;
constraint,3.5942380000,angstrom,cartesian,x,1}

but error occurs.

 ? Error
 ? Internal coord/Constraint definition is allowed only for SLapaf optimizer
 ? The problem occurs in opt_inp1

Any advice will be welcome.

Thank you in advance.


-- 
Joonghan Kim, Ph. D.
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Assistant Professor
Department of Chemistry
The Catholic University of Korea
Bucheon, Gyunggi-do 420-743, Korea
(Tel)+82-2-2164-4338
(Fax)+82-2-2164-4764
(E-mail) joonghankim at catholic.ac.kr, quantum99 at gmail.com
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