VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Tue Sep 29 2020 - 11:41:11 CDT

Maybe! We tried to make FFTK robust to all sorts of input combinations, but it’s still possible that certain ones cause some subtle, hard-to-track-down error. Glad to see you got it to work though.

Best,
JC

> On Sep 29, 2020, at 5:25 AM, Almeida-Hernández, Yasser, Dr. <yasser.almeida-hernandez_at_uni-due.de> wrote:
>
> Hi all,
>
> The error was solved when I deselect the debug file option in the Advanced Settings.
>
> Is this a bug?
>
> Bests
> From: owner-vmd-l_at_ks.uiuc.edu <mailto:owner-vmd-l_at_ks.uiuc.edu> <owner-vmd-l_at_ks.uiuc.edu <mailto:owner-vmd-l_at_ks.uiuc.edu>> on behalf of Almeida-Hernández, Yasser, Dr. <yasser.almeida-hernandez_at_uni-due.de <mailto:yasser.almeida-hernandez_at_uni-due.de>>
> Sent: Monday, September 28, 2020 12:45:50 PM
> To: VMD Mailing List
> Subject: vmd-l: FFTK Opt Torsions: can not find channel named ""
>
> Hi all,
>
> I am getting this error during the torsions optimization in FFTK.
>
> All the fields are properly filled with the respective paths and files.
>
> Any thought?
>
> Thanks in advance,
> Yasser
>
> --
> Dr. Yasser Almeida-Hernandez
> Postdoctoral Researcher
> Computational Biochemistry group
> T01 R03 D45
> Faculty of Biology
> University of Duisburg-Essen
> Universitätsstr. 2, 45117 Essen
> Email: yasser.almeida-hernandez_at_uni-due.de <mailto:%20yasser.almeida-hernandez_at_uni-due.de>
> Phone: +49 201 183 2457 <tel:+49 201 183 2457>