Dear All, Can anybody suggest what should be ideal solution for this the blow mentioned two errors using gmx trjconv and gmx check error in GROMACS 2018.4
GROMACS: gmx trjconv, version 2018.3-dev-20181031-cfa1b1c Executable: /apps/gromacs/gromacs-2018.4-git/bin/gmx Data prefix: /apps/gromacs/gromacs-2018.4-git Working dir: /run/media/bude/Data/BD/S_OPEN/SOpen/WILDTYPE/Seed3 Command line: gmx trjconv -s md_0_1.tpr -f md_0_1.xtc -o md.xtc -pbc mol -ur compact Will write xtc: Compressed trajectory (portable xdr format): xtc Reading file md_0_1.tpr, VERSION 2018.2 (single precision) Reading file md_0_1.tpr, VERSION 2018.2 (single precision) ------------------------------------------------------- Program: gmx trjconv, version 2018.3-dev-20181031-cfa1b1c Source file: src/gromacs/topology/symtab.cpp (line 137) Fatal error: symtab get_symtab_handle 21279775 not found and GROMACS: gmx check, version 2018.3-dev-20181031-cfa1b1c Executable: /apps/gromacs/gromacs-2018.4-git/bin/gmx Data prefix: /apps/gromacs/gromacs-2018.4-git Working dir: /run/media/bude/Data/BD/S_OPEN/SOpen/WILDTYPE/Seed3 Command line: gmx check -f md_0_1.xtc Checking file md_0_1.xtc Reading frame 0 time 0.000 # Atoms 235013 Precision 0.001 (nm) Reading frame 1 time 20.000 Warning at frame 1: there are 17527 particles with all coordinates zero ------------------------------------------------------- Program: gmx check, version 2018.3-dev-20181031-cfa1b1c Source file: src/gromacs/fileio/xtcio.cpp (line 91) Fatal error: Magic Number Error in XTC file (read 0, should be 1995) The log file displays log statistics without any error while I tried to analyze it says the following errors. I need your valuable suggestion and guidance. Thanking You With Warm Regards Budheswar -- 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.