Hello gmxusers !! gmxcheck on #spc_25_eq.trr prints: (#spc_25_eq.trr is the renamed from #spc_25_eq.trr.1#. mdrun was stopped due to insufficient space)
Checking file #spc_25_eq.trr trn version: GMX_trn_file (single precision) Reading frame 0 time 2000.000 # Atoms 33885 Reading frame 200 time 3000.000 WARNING: Incomplete frame: nr 214 time 3070 Item #frames Timestep (ps) Step 214 5 Time 214 5 Lambda 214 5 Coords 214 5 Velocities 214 5 Forces 0 Box 214 5 on restarting the mdrun from state.cpi mdrun -s spc_25_eq.tpr -cpi state.cpi -c spc_25_eq.pdb -o spc_25_eq.trr -e spc_25_eq.edr -g spc_25_eq.log -append yes gmxcheck on spc_25_eq.trr prints: Checking file spc_25_eq.trr trn version: GMX_trn_file (single precision) Reading frame 0 time 2000.000 # Atoms 33885 Last frame 13 time 2065.000 Item #frames Timestep (ps) Step 14 4.99999 Time 14 4.99999 Lambda 14 4.99999 Coords 14 4.99999 Velocities 14 4.99999 Forces 0 Box 14 4.99999 It seems that the -append command didn't append. How can the appending be done. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
