VMD-L Mailing List
From: Daniel Fellner (dfel694_at_aucklanduni.ac.nz)
Date: Thu Apr 23 2020 - 02:32:58 CDT
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I'm following the FFTK tutorial with Gaussian09 Rev D.01 WIN64 but ran into
an issue when it comes to submitting the checkpoint file ETOH.geomOpt.chk
Gaussian doesn't seem to have output this file (all I get is a .out file).
I checked the scratch directory and tried with the one in there, and I
managed to get to section 5.2 of the tutorial (Optimising Bond and Angle
parameters) but when I use the Guess button to populate the Parameters to
Optimise box, I get a list index out of range error.
Does anyone know how to proceed?
*Daniel Fellner BSc(Hons)*
PhD Candidate
School of Chemical Sciences
University of Auckland
Ph +64211605326
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