From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Tue Jun 09 2020 - 12:27:22 CDT

Which optimization step? What is the exact error you get?

Best,
JC

> On Jun 8, 2020, at 7:16 PM, Valentin Gogonea <v.gogonea_at_csuohio.edu> wrote:
>
> Hello everybody:
>
> I am following the ffTK tutorial (http://www.ks.uiuc.edu/Training/Tutorials/science/ffTK/ffTK-tutorial-files/ <http://www.ks.uiuc.edu/Training/Tutorials/science/ffTK/ffTK-tutorial-files/>) using ethanol as an example. In the Optimization step the program fails to load the gaussian output file provided by the tutorial.
>
> I found in the list a discussion back in 2017 about the same error but not concerning a file from the tutorial, but I wonder if anybody else encountered the same problem with the files provided in the tutorial.
>
> I am using VMD 1.9.4 a42 version for Mac (macOS Mojave).
>
> Can anybody give me a hint of what the problem might be?
>
> Thank you for your help.
>
> Best,
>
> Valentin
>
> Valentin Gogonea, Ph.D.
> Professor
> Department of Chemistry
> Cleveland State University
> 2121 Euclid Avenue, SI 422
> Cleveland, OH 44115
> Tel: (216) 875-9717
> Fax: (216) 687-9298
> v.gogonea_at_csuohio.edu <mailto:v.gogonea_at_csuohio.edu>
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