VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Fri Oct 20 2017 - 17:15:01 CDT

Hi Matt,

I first need all the input files necessary to reproduce the error.

Best,
JC

> On Oct 12, 2017, at 12:30 PM, Matt Albertolle <matt.albertolle_at_gmail.com> wrote:
>
> Hello
>
> We are currently experiencing issues inputting the gaussian output .log file into the VMD fftk. We have looked into older posts to this mailing list and saw that others have had a similar problem with VMD not being able to parse the coordinate data efficiently. I have included the VMD output error and our output file from Gaussian. Please let me know if you need any other input files.
>
> Software Versions Used
>
> Gaussian09 (g09_revD.01-x86_64)
>
> VMD 1.9.3
>
> Thanks in advance for your help.
>
> Matt
>
> <VMDfftkErrorFiles.zip>