From: JC Gumbart (
Date: Sun Oct 01 2017 - 07:15:49 CDT

You have to give more information than that…are you getting an error or does it just hang? Does it still happen if you do not provide the 8th file?


> On Oct 1, 2017, at 3:22 AM, RAHUL SURESH <> wrote:
> Dear all
> I am at the final stage of parameterization of the molecule. ie Dihedral optimization.
> I loaded the psf, pdb and par files. then every log file. On run optimization command, fftk stops at parsing QM log file 8 of 8 and its been repeated so many times and the fault prevails..Files can be attached to check for reproducibility if required.
> Any guidance will be of great help. Thanks in advance
> --
> Regards,
> Rahul Suresh
> Research Scholar
> Bharathiar University
> Coimbatore