[gmx-users] Vanishing cofactors

[Erik Marklund]

Hm. Issue largely resolved itself. The chain labels disappear with 2019.1, which is why I might have misinterpreted the output pdb. Still an issue, but minor. Redmine issue updated.

Kind regards,
Erik

> On 20 Mar 2019, at 14:45, Erik Marklund <erik.marklund at kemi.uu.se> wrote:
> 
> Sorry. Wrong link. Here is the correct one
> http://redmine.gromacs.org/issues/2900
> ______________________________________________
> Erik Marklund, PhD, Associate Professor  of Biochemistry
> Associate Senior Lecturer in Computational Biochemistry
> Department of Chemistry – BMC, Uppsala University
> +46 (0)18 471 4562
> erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>
> 
> On 20 Mar 2019, at 14:41, Erik Marklund <erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>> wrote:
> 
> Dear dynamicists,
> 
> When I use a pdb file coming directly from pdb2gmx as input for editconf, my protein’s two cofactor vanish mysteriously. This is using 2019.1. With 2016.3 I get no such issues. Is this a known issue? Has anyone experienced similar problems?
> 
> I could not fine anything similar in redline, so I created an issue
> http://redmine.gromacs.org/projects/gromacs/issues/new?issue%5Btracker_id%5D=1<http://redmine.gromacs.org/projects/gromacs/issues/new?issue[tracker_id]=1>
> 
> Kind regards,
> Erik
> ______________________________________________
> Erik Marklund, PhD, Associate Professor  of Biochemistry
> Associate Senior Lecturer in Computational Biochemistry
> Department of Chemistry – BMC, Uppsala University
> +46 (0)18 471 4562
> erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>
> 
> 
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> 
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