[gmx-users] Combining part files after using -noappend

[Justin A. Lemkul]

Zack Scholl wrote:
> Hi all,
> 
> I just discovered nohup for running my simulation without hangup.  For
> some reason using nohup wouldn't except the checksum on my previous
> md.log file so I just added the -noappend option to create new files.
> 
> I'm curious, is there a way to combine the part files that emerge from
> using the -noappend command?  I.e. I would like to combine my original
> traj.xtc with the traj.part0001.xtc and similar for all the files
> (ener.edr, pullf.xvg, pullx.xvg and traj.trr).
> 

For .xtc and .trr files, use trjcat.  For .edr files, use eneconv.  For anything 
else, like your .xvg files, use Unix commands like cat.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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