[The text did not show up in the mailing list, though the attch came through, so
I am re-writing]
Here is more information:
Its Windows XP, Avogadro 1.01.
I am trying to freeze atom ID numbers: 18-54-17-55
54, 55 are the newly added atoms.
Thanks again,
Prashanth –
Prashanth Athri
On Sep 22, 2010, at 2:59 PM, Prashanth Athri wrote:> The problem I face is that
since these atoms are new, the torsion constraint dialog box [Extensions >
Molecular Mechanics > Constraints; Type = Torsion angle] will not let me add one
of these new atoms – It does not know that they have been added and cannot
count beyond the original atom ID’s. This is true even if I re-open the file
after saving it, or re-start Avogadro. Well, I’d ordinarily say it’s a bug and
have some idea where the bug is… But I’m very surprised when you say it can’t
handle new atoms after saving and restarting Avogadro. The other problem, is
that I can’t reproduce it. I can add constraints, add more atoms, and new
constraints with the new atoms, etc. What version of Avogadro are you using?
What OS? Can you send us the file you’re trying? Thanks very much, -Geoff
–
Prashanth Athri