VMD-L Mailing List
From: Valentin Gogonea (v.gogonea_at_csuohio.edu)
Date: Mon Jun 08 2020 - 18:16:55 CDT
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Hello everybody:
I am following the ffTK tutorial (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
- Next message: Daniel Fellner: "FFTK: Charge Optimisation partial charges"
- Previous message: Hélder Bandarra Tavares: "Fixed atoms question"
- Next in thread: JC Gumbart: "Re: Action halted on error in ffTK: The following output QM was not recognized"
- Reply: JC Gumbart: "Re: Action halted on error in ffTK: The following output QM was not recognized"
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