[gmx-developers] dummy atoms

[Frank Wennmohs]

Hello all!

Is it possible that there are some restrictions
as to where dummy atoms can be placed in
a molecule's topology?

As I performed the following scenario:
I inserted dummy atoms in a protein topology generated
by pdb2gmx and renumbered all atoms and charge groups thereafter.
Afterwards gmx complained about not defined angles like
simple backbone angles!


Has anyone an explanation for this?


Frank