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
--
========================================
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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