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Re: Freezing of torsion and out-of-plane angles.

Alex Granovsky


try ifdmod=0.

You can freeze out of plane angles directly.
They are coordinates of type 4, e.g.

 ifzmat(1)=3,3,4,8,9, 4,10,9,8,4 orttol=1d-8 

Kind regards,
Alex Granobsky

On Thu Mar 28 '13 4:06pm, Khimich wrote

>I have a question about freezing of torsion and out-of-plane angles.
>I am trying to freeze the rotation of the protonated carboxyl group of anthranilic acid. First angle freezes well, but when frozen the second calculation is interrupted.

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