Re: [gmx-users] Vanishing cofactors

2019-03-20 Thread 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 wrote: > > Sorry. Wrong link. Here is the correct

Re: [gmx-users] Vanishing cofactors

2019-03-20 Thread Erik Marklund
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)

[gmx-users] Vanishing cofactors

2019-03-20 Thread 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 i