Installation and usage of TURBOMOLE > TMOLE Script

BSSE in Tmole

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idet2:
Hello!

I would like to know if it's possible to do a BSSE calculation using TMole Script!

I don't see anything in the manual but tmole.plx appears to have "bsse" in it...

Does anyone know if it's possible and how to do it?

EDIT: OK, I found that I can use as $property the word "BSSE" but then the calculation goes as usual without asking anything about the fragments etc.
         How do I fix that?


Regards

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