hello guys!
I am using the following command to restart my protein simulation that has stopped in 60 ns (total simulation is100 ns)
> gmx mdrun -v -deffnm 6_md -cpi 6_md.cpt -append
however, once I give this command a fatal error appears:
Failed to lock: 6_md.log. No locks available.
Does anyone know how to solve this and do a restart? I am using Gromacs 2018 version.
Try this command:
gmx convert-tpr -s md_0_1.tpr -f md_0_1.cpt -extend (simulation time) -o md_0_2.tpr
gmx mdrun -s md_0_2.tpr -e md_0_2.edr -o md_0_2.trr
Dear, Gabriela de Lima Menezes
Use this commands for Jobs suddenly stopped via power cut or sysytem or Machine problem...
>> gmx mdrun -v -deffnm 6_md -cpi 6_md.cpt -noappend
Hey, Mohd. Babu Khan
That -noappend flag solved my problem.
Thanks a lot!
Regards
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