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

Jay Billings jayjaybillings at gmail.com
Wed Mar 5 13:28:11 UTC 2008


Before the error message appeared, I loaded a trajectory file converted 
from dlpoly HISTORY and FIELD files. I clicked "Atom Selection" to 
select the atoms of interest and then I clicked "Group Selection." After 
this, I tried to calculate the angular trajectories and other angular 
quantities.

I am not sure where the KeyError comes from either. What do you mean by 
the definition of my system? Do you mean the python install?

Thanks so much!

Jay

Konrad Hinsen wrote:
> 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.
> -- 
> ---------------------------------------------------------------------
> 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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