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 time 0.000 ------------------------------------------------------- Program: gmx trjconv, version 2016.3 Source file: src/gromacs/pbcutil/pbc.cpp (line 94) Fatal error: Unknown ePBC=1051770189 in ePBC2npbcdim Call me a hopeless nostalgic, but I remember a time when such mistakes rendered an error saying that I am using an older version of gmx than the version used to generate the tpr file. Is that not a thing anymore, and this is the expected behaviour? Seems problematic if gmx tools try to read nonsense data (from the viewpoint of the gromacs version used). 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.markl...@kemi.uu.se<mailto:erik.markl...@kemi.uu.se> När du har kontakt med oss på Uppsala universitet med e-post så innebär det att vi behandlar dina personuppgifter. För att läsa mer om hur vi gör det kan du läsa här: http://www.uu.se/om-uu/dataskydd-personuppgifter/ E-mailing Uppsala University means that we will process your personal data. For more information on how this is performed, please read here: http://www.uu.se/en/about-uu/data-protection-policy -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
