annalisa.bordogna at gmail.com
Tue Jan 29 00:19:16 PST 2008
I think it is so.
I don't know anything about the errors you get, but when the job is running
and you open your dlg file, you see something like:
'Generation: 1400 Oldest's energy: -7.506 Lowest energy: -7.506
Num.evals.: 1871105 Timing: Real= 0.00s, CPU= 0.00s, System= 0.00s'
when, for example, LGA are generating poses
'Successful Completion' when the job is finished.
Hope someone could help with the errors you get.
DISAT - Università degli Studi di Milano Bicocca
2008/1/28, Florenci V. Gonzalez <fgonzale at qio.uji.es>:
> Thanks Annalisa, I am using windows and I did open the dlg file and
> actually it does not say "Finished job" but it is giving some errors
> like: "...nonpolar hydrogens had more than one bond..." or
> " File "C:\Python25\lib\lib-tk\Tkinter.py", line 1403, in __call__
> return self.func(*args)
> line 3861, in Accept_cb
> File "C:\Python25\lib\lib-tk\Tkinter.py", line 286, in get
> return getint(self._tk.globalgetvar(self._name))
> ValueError: invalid literal for int() with base 10: ''
> The question is: if it is giving me errors does it mean it is not running?
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