[gmx-users] Unable to continue the simulation
minnale_gnos at rediffmail.com
Fri Apr 25 15:21:26 CEST 2008
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
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.
Thanks in advance for your suggestion
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