[AMBER] Question on Paramfit QM File

From: Swisher, Justin S <Swisher122.live.missouristate.edu>
Date: Tue, 3 Aug 2021 16:48:55 +0000

Hi, everyone

So, I'm trying to determine what's going on with an error message I'm receiving when using Paramfit.

I'm receiving a fatal error in read_gaussian_Forces FUNCTION where it is failing to open my file. I'm using a gaussian output file and while looking up the tutorials it says that Paramfit should be able to withdraw the information directly from a Gaussian file, so I'm wondering why it won't open my log file. I'm attaching the run file that I built with the Paramfit help command. I have a suspicion that it is due to the naming convention of my QM in the run file, but no matter what I try to rename the QM file the error just changes the file name that it can't seem to open.

Any insight is always greatly appreciated.

Thank you!

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Received on Tue Aug 03 2021 - 10:00:03 PDT
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