I am running a protein ligand MD simulation using gromacs. I have started npt equilibration for 500000 nsteps (1ns). After a computer shutdown at 170500, I started restart using following command:-
gmx_mpi mdrun -s nvt.tpr -cpi state.cpt
but MD started again from step 'zero';
I also used -append option but nothing worked my simulation again start from zero step.
anyone can please suggest me whats wrong I made?
Thanks in advance