[MMTK] [Fwd: nMoldyn Error in Tkinter callback]

Konrad Hinsen hinsen at cnrs-orleans.fr
Wed Mar 5 10:56:36 UTC 2008

On 04.03.2008, at 18:05, Jay Billings wrote:

> Has anyone seen this error in nMoldyn before? It pops up when  
> trying to calculate any functions that require group selection.

Could you give some more details about what you did before getting  
this error message? What surprises me is the missing key:

>  File "/usr/bin/xMoldyn", line 1662, in getGroupSelection
>    item = master[0] + ' ' + self.menuProtein\
> KeyError: 'Species'

I checked the source code of nMOLDYN and MMTK for the word "Species"  
but didn't find it, so I wonder where it comes from. Could it come  
from the definition of your system?

Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr

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