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

Zack Scholl zns at duke.edu
Fri Jun 3 15:31:49 CEST 2011


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).

Thank so much for your time,

Sincerely,

Zack



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