From: JC Gumbart (
Date: Mon Aug 07 2017 - 12:23:17 CDT

As a starting point, can you send me your Gaussian log file off-list or make it available somewhere? This part of FFTK shouldn’t care about how the optimization was done.


> On Aug 3, 2017, at 5:40 PM, Laura Joana <> wrote:
> Dear all,
> I'm using the force field toolkit plugin for vmd and I have a problem to read a gaussian log file. I had issues with two of my scan torsion's calculations with gaussian. I solved this by making the optimization in cartesian coordinates (opt=cartesian). The problem now is that FFTK is not capable to read my gaussian logs. This is because the file format is different. The first variable he is not able to define is scanDihDef. Is there a way to solve this ?
> Best regards,
> Laura