Hi all My system was crashed inbetween simulation, so restarted the run by using tpbconv command tpbconv -f popc.trr -e popc.edr -s popc.tpr -o popc_restart -time 2235.2 -until 3000 it showing
Last frame read 6173 WARNING: Incomplete frame: nr 6174 time 2234.600 ------------------------------------------------------- Program tpbconv, VERSION 3.3.1 Source code file: enxio.c, line: 401 Fatal error: Could not find frame with time 2235.200195 in 'popc.edr' ------------------------------------------------------- when I view the popc.edr file by using gmxcheck it showing Opened 3nspop128new.edr as single precision energy file frame: 500000 (index 0), t: 1000.000 Reading frame 6000 time 2200.000 Last frame read 6173 WARNING: Incomplete frame: nr 6174 time 2234.600 Found 6173 frames with a timestep of 0.2 ps. its may be due in md.mdp file I am using velocites = no (I am doubting because read doing restarts webpage and tpbconv -h command I understood "Note that a frame with coordinates and velocities is needed, which means that when you never write velocities, you can not use tpbconv and you have to start the run again from the beginning" Could give me some suggestion how can I restart the crashed simulation? Thanks alot for any suggestion.
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