Dear Patrick,
Thank you for your kind help! The problem is solved with your help.
1) If I run Avogadro.exe from the \bin folder, then open files, I can use
the force fields.
2) If I created a shortcut link in the desktop and run it, I can use the
force fields.
3) I have assigned “C:\Program Files (x86)\Avogadro\bin\avogadro.exe” to
open the Gaussian output files by default. If I open an output
file using Avogadro by directly clicking the file, I cannot use the force
fields. Not sure what is wrong.
Cheers,
Michael
From: Patrick Avery [mailto:psav...@buffalo.edu]
Sent: Saturday, October 22, 2016 9:35 AM
To: avogadro-discuss@lists.sourceforge.net
Subject: Re: [Avogadro-Discuss] AutoOptimization
Hi Michael,
This usually means the force field files were not found. These are the files at
this location: https://github.com/openbabel/openbabel/tree/master/data
I can think of two likely scenarios. Either
1: you don't have the files. Check your install location (probably C:\Program
Files (x86)\Avogadro). Open the bin folder and see if the force field files are
there.
2: if you do have the files, the force field files may not be loading if
Avogadro's runtime location is not in C:\Program Files (x86)\Avogadro\bin. You
can double click the Avogadro executable in C:\Program Files (x86)\Avogadro\bin
And the force fields should work then. If you are using a shortcut, right click
it and select "properties" and make sure it says it is starting in C:\Program
Files (x86)\Avogadro\bin and not C:\Program Files (x86)\Avogadro.
I tried setting it up to make sure we wouldn't run into either of those
problems. Perhaps I missed something, though. Did you create your own shortcut?
Thanks,
Patrick
On Friday, October 21, 2016, Michael Morgan <michaelmorgan...@gmail.com> wrote:
Dear All,
My Avogadro’s AutoOptimization stopped working. When I clicked “Start”, it
showed “AutoOpt: Could not setup force field…”. I have tried most simple
molecules, as well as choosing different force field. All the same. Any idea
what is wrong?
My Avogadro version is most recent one (1.2.0). Windows 10.
Thank you very much.
Best
Michael
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