Can large chemical systems run in MOPRO ?

Jacek Klos jakl at
Sat Jul 28 14:33:19 BST 2001

You can set the maximum number of atoms and size of basis function
during configuring Molpro ('configure' script). Z-matrix and cartesian
coordinates are available in Molpro for definitions of molecule geometry.
Best regards

Jacek Klos
On Fri, 27 Jul 2001, Delyb Mary wrote:

> Hello,
>       Can anyone give us the detailed informations as
> to whether we can run the large-size chemical systems
> like hydrogen-bonded complexes within MOLPRO? If so,
> would you let us know if the z-matrix or cartesian
> coordinates are required for the input file?Has anyone
> ever worked on such systems ?
> Regards
> Del
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