Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^8: A VALUE WAS GIVEN FOR A VARIABLE H NOT FOUND IN THE Z-MATRIX
>I have noticed that, but because the Z-matrix was automatically
>generated so that there was an out-of-plane bend instead of torsion
>for a coordinate of interest, I figured out that it is necessary
>to freeze this coordinate.
There should not be a problem with this torsion. When coordinate to be
restricted is absent in the initial list of automatically generated
primitives, it will be added to the list.
All the best,
Thu Mar 30 '17 2:51pm
This message read 230 times