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Re: Is optimization in DLC with some frozen internal coordinates AND in addition some frozen Cartesian coordinates possible?

Alex Granovsky

Dear Evgeniy,

Yes this is possible.

Please see attached file for sample.

Kind regards,
Alex Granovsky

On Thu Jan 14 '16 1:25pm, GrEv wrote
>Dear All,

>I wonder if one can freeze simultaneously some internal coordinates and in addition some Cartesian coordinates (to fix some atoms) and perform a geometry optimization?
>If yes, what keywords are required for that?
>Many thanks!


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[ frozen_dlc_and_cartesian.rar ]

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