Hi Axel, thank you for information. Can I change this
value and recompile the program?
Sincerely, Alvaro
--- Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>
escreveu:
> On Thu, 15 May 2008, ?lvaro Alves wrote:
>
> AA> Hello everyone. Is there a limit to the
> definition of
>
> hello alvaro,
>
> AA> different atomic species for the same type
> atomic. For
> AA> example, N1 N2, N2, N4. I need this procedure
> for
> AA> several atomic type (N, O, C).
>
> yes. the parameter ntypx determins the maximum
> number
> of atom type entries. it is set in
> Modules/parameters.f90
> and the default value is 10.
>
> cheers,
> axel.
>
>
> AA>
> AA> Sincerely, Alvaro
> AA>
> AA>
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> --
>
=======================================================================
> Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
> http://www.cmm.upenn.edu
> Center for Molecular Modeling -- University
> of Pennsylvania
> Department of Chemistry, 231 S.34th Street,
> Philadelphia, PA 19104-6323
> tel: 1-215-898-1582, fax: 1-215-573-6233,
> office-tel: 1-215-898-5425
>
=======================================================================
> If you make something idiot-proof, the universe
> creates a better idiot.>
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