[gmx-users] Restarting crashed simmulation.
neelam.wafa at gmail.com
Thu May 10 13:08:12 CEST 2018
Hi gmx users!
I am running a 5ns md simmulation of a protein with 2500000 steps. It
crashed at 1360000 steps due to some power problem. Now I want to continue
this simmulation. In the manual following command is given:
mdrun -s topol.tpr -cpi state.cpt
but I am confused which file is state.cpt. I have got two cpt files
md_1_0.cpt and md_1_0_prev.cpt. which one is to be used?
Also I did not get a md_1_0.gro file/ Is is due to incomplete simmulation?
Also do I need to specify -append flag or not? I am using version 5.1.5
Please need urgent answer.
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