This doesn't seem to be a QMMM problem, as KF files are not used in that
part.
Maybe you are trying to run with fragment files that had been created
with an earlier version ?
[the error message seems similar to the error I had at that time]
On Friday, July 19, 2002, at 11:12 , ALBERT POATER TEIXIDOR wrote:
> Dear users,
> I have problems with simple calculations of geometry which include a
> part
> which is calculated in MM. It's a QMMM calculation. I work with
> ADF2000.02. It
> doesn't seem an error of input. Are there anybody who knows what
> happens?
> Thanks in advance
>
> <Jul19-2002> <07:01:29> ADF 2000.02 RunTime: Jul19-2002 07:01:29
> <Jul19-2002> <07:01:29> h22+22m_o2 amber95 - Cartesian Geometry
> Optimization
> <Jul19-2002> <07:01:29> RunType : SINGLE POINT
> <Jul19-2002> <07:01:29> kfopvr: Attempt to open unknown variable :
> electrons
> <Jul19-2002> <07:01:29> ardel: last array to be deleted not found
> <Jul19-2002> <07:01:29> kfopvr: Attempt to open unknown variable :
> electrons
> <Jul19-2002> <07:01:29> END>
>
>
>
>
–––––––––––––––––––––––––––––––––––––
Marcel Swart
Organische en Anorganische Chemie
Faculteit der Exacte Wetenschappen
Vrije Universiteit Amsterdam
De Boelelaan 1083
1081 HV Amsterdam
The Netherlands
F +31-(0)20-4447488
E swart_at_chem.vu.nl
W http://go.to/m.swart
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Received on 2002-07-23 19:12:03
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