[gmx-users] Vanishing cofactors

[Erik Marklund]

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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