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Re: How to freeze rotation of the atoms frozen with IFRZAT keyword

Alex Granovsky

Dear Evgeniy,

no, this is impossible.

Kind regards,

On Thu Jan 14 '16 7:51pm, GrEv wrote
>Dear All,

>I would like to freeze atoms completely, avoiding use of the keyword IFREEZ.
>There is the keyword IFRZAT, which freezes all the distances between
>the specified atoms. However, the atoms frozen with IFRZAT still can rotate as a whole
>with respect to the other atoms. I am wondering how one can suppress also
>this degree of freedom. (For example, one could freeze the distance from the origin to
>the atoms specified in IFRZAT. Is that possible?)

>Many thanks!


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