CCL: MOPAC job,which other way?
- From: "Olawale Lukman Olasunkanmi"
<waleolasunkanmi]_[gmail.com>
- Subject: CCL: MOPAC job,which other way?
- Date: Sat, 8 Jan 2011 14:51:59 -0500
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.