VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Mon Feb 01 2016 - 12:34:42 CST

Soumya,

Something is amiss with the parser. There’s not much information go on here, so I have a few questions:

1) Make sure that you’re passing it the LOG files output from the Gaussian calcaulation.

2) What version of VMD are you using?

3) Did you check the Gaussian LOG files to ensure that they ran? (they don’t necessarily need to complete without error, but they need to make it a few steps)

Regards,
Christopher Mayne



On Feb 1, 2016, at 12:27 AM, Soumya Lipsa Rath <soumyalipsabt_at_gmail.com<mailto:soumyalipsabt_at_gmail.com>> wrote:

Hi,

I am using the FFTK toolkit of vmd for developing CHARMM compatible parameters. During the "Dihedrals I: Generating Dihedral Scan Target Data" step, when I am trying to load the log files, I am getting the following error.

can't read "scanDihDef": no such variable. I am using Gaussian 09 for running the scans. Please help me figure out the problem.

Thanks,
Soumya