CCL: MOPAC users



You can setup MOPAC input files with Avogadro.
It is a free software package which you can obtain from: http://avogadro.openmolecules.net/wiki/Main_Page

On Sun, Jan 9, 2011 at 10:37 PM, Olawale Lukman Olasunkanmi waleolasunkanmi ~ gmail.com <owner-chemistry-*-ccl.net> wrote:

Sent to CCL by: "Olawale Lukman Olasunkanmi" [waleolasunkanmi|,|gmail.com]
Dear all,
I appreciate your earlier contributions while I was getting started.
Please, how do I correct the following errors emanating from or stopping my calculations:
1. the gradient norm is too high for force field calculations
2. the gradient norm is too high, results may be inaccurate
Can you suggest a molecular builder that I can readily download and use to generate my input file?
Thank you in anticipation of your responses.



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--
Regards
K. K. Govender
BSc (Hons)(Chemistry), MSc (Chemistry)
University of Pretoria
PhD Graduate Student
Scientific Computing Research Unit
University of Cape Town
082-930-4098
021-650-2530
Email: kk.govender-*-gmail.com
krishna.govender-*-uct.ac.za