VMD-L Mailing List

From: Gabi Heller (gthh3_at_cam.ac.uk)
Date: Fri Feb 16 2018 - 06:05:00 CST

Hi FFTK users,

I seem to be having issues with Optimizing Bond and Angle Parameters (step
5.2) using FFTK. It seems that the program is running continuously for a
very long time ("Status: Running..." on the GUI), without writing or
updating any files after the initial ones have been created. I do not have
any error messages.

I am using vmd 1.9.4 with namd 2.12. To test whether the issue was with my
fragment or the software itself I repeated step 5.2 of the ethanol tutorial
(using the prepared input files), which also runs continuously for a very
long time without seemingly doing anything...

Is this normal? Do you have any suggestions?

Thank you very much!

All the best,
Gabi