VMD-L Mailing List

From: Hamish Swanson (hamish.swanson_at_strath.ac.uk)
Date: Thu Jul 22 2021 - 09:30:58 CDT

Hi all,

I am currently trying to optimise 3 specific angle parameters that I am developing for a small, charged molecule (23 atoms). To do this I am using FFTk with vmd version 1.9.4.

I find that the GUI freezes with the status running and then remains unresponsive, this persists for extended periods (even overnight). My input files are okay, and I have been able to use this plugin before.

Does anyone have any insight or ideas as to what might be the problem?

Many Thanks,
Hamish