[gmx-users] restarting stopped mdrun
mohanaa87 at yahoo.in
Mon Jul 11 10:35:47 CEST 2011
----- Forwarded Message ----
From: Mohana lakshmi <mohanaa87 at yahoo.in>
To: gmx-users-request at gromacs.org
Sent: Mon, 11 July, 2011 1:53:04 PM
Subject: restarting stopped mdrun
I kept mdrun run for 3ns but the job stopped when it reached 1263999 steps due
to system shut down. I used tpbconv command (tpbconv -f md.trr -s md.tpr -e
md.edr -extend 474 -o md2.trr and mdrun -s md.tpr -cpi md.cpt) to restart my
job but i got this error - Fatal error:
File appending requested, but only 1 of the 4 output files are present.
Please help me to figure out where i did mistake.
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