Alex Granovsky
gran@classic.chem.msu.su
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
---------------------------------------
>Hello
>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.