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August 24, 2019

WebMO / MOPAC 2009 theory selection Log Out | Topics | Search
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Author Message
Adam Lesser
Unregistered guest
Posted on Wednesday, July 29, 2009 - 1:23 am:   

I've noticed that in older versions of webMO with an older version of MOPAC, such as MOPAC 2007 configured, that the choice of theory was much broader than the currently offered (AM1 / PM3 / MINDO/3 ) options. I.e. It used to offer the newer RM1 / PM6 options. Is there a way to fix this manually and/or in the next bugfix release without resorting to the "other" selection to do it manually ?
JR Schmidt
Moderator
Username: Schmidt

Post Number: 110
Registered: 11-2006
Posted on Wednesday, July 29, 2009 - 9:39 am:   

In the current release, the RM1 / PM6 options should automatically show up so long as the MOPAC version is 2007 or higher, and is configured as such in the 'Interface Manager'. Please verify that this is true, and if so let me know.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 111
Registered: 11-2006
Posted on Wednesday, July 29, 2009 - 12:08 pm:   

It is a problem when MOPAC 2009 is selected. To patch the problem, open up the "mopac.html" file in the WebMO HTML directory. There is a line that looks like:
<perl>'<option>PM6' if ($mopacVersion == 2007)</perl>
change that to
<perl>'<option>PM6' if ($mopacVersion >= 2007)</perl>
along with the similar line for RM1. This should resolve the issue.

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