Re: [gmx-users] Tpr version check

2019-04-12 Thread Erik Marklund
Hi, Thanks Mark. See https://redmine.gromacs.org/issues/2924. Kind regards, Erik __ Erik Marklund, PhD, Associate Professor of Biochemistry Associate Senior Lecturer in Computational Biochemistry Department of Chemistry – BMC, Uppsala University +46

Re: [gmx-users] Tpr version check

2019-04-11 Thread Mark Abraham
Hi, The old behavior of a graceful rejection of the file with a new version number is still expected. The most likely explanation for your observations is that they old version of gmx is linking somehow to newer versions of things (which also shouldn't happen ...), and the chimera can't work. If

[gmx-users] Tpr version check

2019-04-10 Thread Erik Marklund
Hi users, I accidentally used an older version (2016.3) to run trjconv on some trajectories. Some conversions worked, seemingly depending on pbc options etc, whereas others stopped with the following output: Back Off! I just backed up mol.xtc to ./#mol.xtc.1# -> frame 0 time0.000