>Hi all!!
>
>Does anybody knows what is the maximun number of variables
>allowed by ADF 2000 in a geometry optim. calculation?
>
>(We are trying to run a calculation (QM/MM) with a total number of
>atoms =1300, thus ~3600 geom. var. ADF stops just at the
>beginning, and gives the error message "too many variables")
>
>Thanks
Normally, the default number of atoms is 1000. This could be your problem.
You can change this in the settings file.
-- Marcel Swart Theoretische Chemie (MSC) / Moleculaire Dynamica (GBB) Rijksuniversiteit Groningen Nijenborgh 4 9747 AG Groningen The Netherlands m.swart_at_chem.rug.nl http://go.to/m.swartReceived on 2001-03-27 17:59:34
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