[gmx-users] restart failed

xiao helitrope at 126.com
Sat Nov 16 11:17:34 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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