[gmx-users] failed restart

xiao helitrope at 126.com
Sat Nov 16 11:48:27 CET 2013


Hi all gromacs users,
My simulation crashed, and i try to restart it by using the following command: mdrun -s topol.tpr -cpi state.cpt
The version of the software is 4.5.4, and i got the following error:
File appending requested, but only 1 of the 4 output files are present
Output files present: md.log
output files nor present or named differentaly: md.trr md.xtc md.edr
I checked the md.trr md.xtc md.edr, and they are in the same directory. I have no idea why the software comlained it?
Any idea is appreciated
Best wishes
Fugui


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