On 11/07/2011 6:35 PM, Mohana lakshmi wrote:
----- Forwarded Message ----
*From:* Mohana lakshmi <[email protected]>
*To:* [email protected]
*Sent:* Mon, 11 July, 2011 1:53:04 PM
*Subject:* restarting stopped mdrun
Dear all,
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.
You didn't tell us what you did with enough detail for us to know where
you were wrong. Check out
http://www.gromacs.org/Documentation/How-tos/Doing_Restarts
Mark
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