Hello All, I have a query regarding the restarts of the jobs after crash. I want to simulate a protein for 2 ns but in between due to system shutdown, it stopped, and I made a restart using this command: mdrun -s topol.tpr -cpi state.cpt -appendnow I checked the rmsd of in between by producing a .xtc file of the job which ran till now and then checked g_rms of the simulation, it is showing a graph like this,(I have attached in the mail)
this is showing rmsd after the point the job was restarted with some error in the beginning. I want to know if there will be error at the end of the job too in the output file, .gro ? Thanks in advance Regards -- Sonali Dhindwal
<<attachment: g_rms.png>>
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