minnale wrote:
Hi all,
My system without velocities in md.mdp file crashed mid of the
simulation due to disk full, so I have used *tpbconv command for
continue the simulation but it showing following error when I use these
command
*tpbconv -f prt.trr -s prt.tpr -o out.tpr -e prt.edr
Fatal error:
Could not find frame with time 211.200012 in 'prt.edr'
but when I use same command without mentioning ".edr", command is
working fine, shall I take this out.tpr for my continuation run? In
manual mentioned that cooridnates and velocities are needed for
generating out.tpr file.
There's general advice here http://wiki.gromacs.org/index.php/Doing_Restarts
Mark
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