VMD-L Mailing List

From: Joel Subach (mjsubach_at_alumni.ncsu.edu)
Date: Fri Mar 17 2023 - 16:04:23 CDT

..and moreover I also tried to load the water interaction input (GAU)
files into VMD via the Load GAU Files button
within the Water Int. tab of the ffTK GUI and this also did not promote
visualization via VMD?

Thanks if you can help since I would like to superimpose these gau image
files with the parmetized log file images
to visualize the water interaction optimization.

On Thu, Mar 16, 2023 at 3:51 PM Joel Subach <mjsubach_at_alumni.ncsu.edu>
wrote:

> Hello I am working through the ffTK Tutorial 4 Charge Optimization and
> successfully
> generated my .gau files (page-17 from below Tutorial Link). There is no
> gau
> selection within the VMD visualization tab `Determine File Type´ not
> enabling me to
> visualize my several .gau files and the selection Automatically only
> generates `Please
> Select a File Type´ (see-attached screenshot).
>
> Is there a way for me to still visualize my .gau files via VMD? Thanks:)
>
> *http://www.ks.uiuc.edu/Training/Tutorials/science/ffTK/fftk-tutorial.pdf
> <http://www.ks.uiuc.edu/Training/Tutorials/science/ffTK/fftk-tutorial.pdf>*
>