Sent to CCL by: "Olawale Lukman Olasunkanmi" [waleolasunkanmi__gmail.com]
when I want to run calculations with MOPAC I go thus:
- I draw the molecule with chemdraw
- I save the 3D model as a mopac input file
- I then open the saved file with mopac
the geometry optimization is done automatically, using default settings.
But the problem is, I need more than the default settings. I want to use the mopac keywords. Kindly, explain how I can do it so that I can use the various keywords to suite my calculations.
Thank you.
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