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From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Thu Jun 22 2023 - 07:43:40 CDT

..(And I compared my output.out file content to the given example .log
file and they did not match.)

On Wed, Jun 21, 2023 at 4:10 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
wrote:

> Hello towards the above topic,
>
> In lieu of Gaussian I will input 4 .inp files into ORCA to generate
> subsequent
> files (.log files via Gaussian) to be input into the ffTK Opt Torsions Tab.
>
> As mentioned I am using ORCA instead of Gaussian and instead generated an
> output.out file and several other files (see screenshot attached and
> output.out file). Which from the list of files
> generated via ORCA from the screenshot would be analogous to the .log file
> that I would then use as an input into the ffTK Opt Torsions Tab? I am
> guessing it will be the output.out file, please let me know if the
> output.out file is analogous to the Gaussian output .log file via
> inspection if this would be the correct file to input into Opt Torsions and
> if not which file from the screenshot would you suggest?
>
> Thanks:)
> Joel 🚀
>
>
>