This error may occur when you are using fragments in a supermolecule
calculation,
for instance a water dimer using the same water fragment for both
molecules,
and the coordinates of (one of) the fragments differs between the
supermolecule
and the fragment job.

Note, when you want to use fragments in a supermolecule calculation,
the geometry
should be exactly equal (apart from a rotranslational shift of the
molecule as a whole)
in the fragment AND the supermolecule job.

On Oct 25, 2004, at 11:36 AM, Els van Besien wrote:

> Dear all,
>
> Does anyone know what the ADF-error "NO TRANSFORMATION FOUND" means and
> how it can be prevented?
>
> Thanks in advance,
> Els
>
>
>
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dr. Marcel Swart

Theoretische Chemie
Vrije Universiteit Amsterdam
Faculteit der Exacte Wetenschappen

De Boelelaan 1083
1081 HV Amsterdam
The Netherlands

Tel +31-(0)20-4447619
Fax +31-(0)20-4447629
E-mail m.swart_at_few.vu.nl
Web http://www.few.vu.nl/~swart
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Received on 2004-10-25 13:32:17