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This is a known issue. A patch will be released later this week to address this. In the meantime, simply removing the offending "-p" option in run_psi.cgi will fix it.

Please do not manually edit the interface files. Use the "Interface Manager" under admin.

Please just check the syntax of the psi.int file. It is simply key/value pairs separated with an "=" sign. The values are strings that must be quoted.

Can you please clarify the problem? Note that you must correctly specify the total charge of the molecule when running the actual calculation. The format charges do not actually enter a MO calculation. They are for display / generation of an initial geometry only. Note that your images do not displa...

Could you post (or email) the output file for this job? The full electron density should be calculated. I do not understand why it is stopping, so this may indicate a bug.

This was a transient issue with the NIH Cactus resolver, which appears to have "resolved" itself the next day.

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