CCL: mopac NOREOR
- From: "Marcelo Zaldini" <zaldini{}ufpe.br>
- Subject: CCL: mopac NOREOR
- Date: Mon, 5 Mar 2007 09:48:41 -0500
Sent to CCL by: "Marcelo Zaldini" [zaldini^^^ufpe.br]
Dear CCLers,
Is it possible to setup the mopac 6.10 to NOT reorient the molecular geometry
before calculations, using keyword or even any change in source code ? The
RE-ORIENTATION is normally used for symmetry purposes.
In mopac93 manual, there is a keyword named NOREOR, but it doesn't work in mopac
6.10.
Best Regards,
Marcelo.