CCL:G: MOPAC job,which other way?



 Sent to CCL by: Paul Fleurat-Lessard [Paul.Fleurat-Lessard]_[ens-lyon.fr]
 Hi,
 
Another option is Gabedit. It is a freely available code that works on Linux, Mac and Windows. It is a grahical interface for many ab initio code such as Mopac2009, Gaussian, Firefly (ex-PC Gamess), QChem and others:
 http://sites.google.com/site/allouchear/Home/gabedit
 Regards,
 Paul.
 Le 09/01/2011 00:11, Thomas Patko tpatkoa/gmail.com a écrit :
 
 I typically run MOPAC 2009 using WebMO whether on Linux, Mac or Windows:
 http://www.webmo.net/
 The offer support for MOPAC 2009, and there is a fully functional free version
 available (although some features are restricted to the commercial version).
 Cheers,
 Thomas
 On Sat, Jan 8, 2011 at 11:51 AM, Olawale Lukman Olasunkanmi waleolasunkanmi ~
 gmail.com <http://gmail.com>; <owner-chemistry..ccl.net
 <mailto:owner-chemistry..ccl.net>> wrote:
     Sent to CCL by: "Olawale Lukman Olasunkanmi"
 [waleolasunkanmi__gmail.com
     <http://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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 --
 Fleurat-Lessard Paul, Assistant Professor
 Laboratoire de Chimie	        e-mail: Paul.Fleurat-Lessard-,-ens-lyon.fr
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