[Wien] Warning force

[Gilles Hug]

Le 6 avr. 07 à 08:56, Lyudmila Dobysheva a écrit :

> The second position of the third atom looks also suspicious:
>
>> ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
>>           MULT= 2          ISPLIT= 4
>>       -3: X=0.00000000 Y=0.00000100 Z=0.50000000
>
yeap! you're right!
Although this one does not seems to be harmful, it must be cleaned up
Cheers,
Gilles

-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20070406/27077563/attachment.html