On Sat, Sep 27, 2008 at 03:05:55PM -0000, minnale wrote: > > 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?
use an earlier time frame. cheers, marc _______________________________________________ gmx-users mailing list [email protected] http://www.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
