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

Alex Granovsky
gran@classic.chem.msu.su


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!

>Evgeniy

This message contains the 251 kb attachment
[ frozen_dlc_and_cartesian.rar ]


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