From: Giacomo Fiorin (giacomo.fiorin_at_temple.edu)
Date: Fri Sep 24 2010 - 15:48:59 CDT
Hi Alex, the dummy group is only there to provide a fixed position, defined
by you, that won't move in space.
So if there is a dummyAtom keyword inside a group, there can't be any other
atom selections, such as atomNumbers, etc.
Dr. Giacomo Fiorin
ICMS - Institute for Computational Molecular Science - Temple University
1900 N 12 th Street, Philadelphia, PA 19122
On Fri, Sep 24, 2010 at 2:25 PM, Alexander Predeus <predeus_at_gmail.com>wrote:
> Jérôme, Felipe - thank you very much, it did the trick.
> Now, a different error appears a lot, but in somewhat irregular
> fashion. Depending on the size of the selection, the system quits
> while adding "N" and "O" atoms with the message
> > Error: cannot add atoms to a dummy group.
> Some residue ranges work just fine, while (most) others crash with
> this error message.
> As always, any suggestions are greatly appreciated.
> -- Alex
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:54:33 CST