[gmx-developers] dummy atoms
frankw at bph.ruhr-uni-bochum.de
Wed Oct 23 11:05:55 CEST 2002
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?
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