[gmx-users] restarting stopped mdrun

[Mark Abraham]

On 11/07/2011 6:35 PM, Mohana lakshmi wrote:
>
>
> ----- 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
>
> 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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