VMD-L Mailing List
From: Hamish Swanson (hamish.swanson_at_strath.ac.uk)
Date: Thu Jul 22 2021 - 09:30:58 CDT
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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
- Next message: Joaquim Rui de Castro Rodrigues: "RE: Discrepancy in value of dihedral angles of a sugar molecule by VMD tools"
- Previous message: Josh Vermaas: "Re: Discrepancy in value of dihedral angles of a sugar molecule by VMD tools"
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- Reply: Gumbart, JC: "Re: FFTk GUI unresponsive"
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