Hi,
I have extended a simulation from 10ns to 100ns with following command:
gmx convert-tpr -s md_10ns.tpr -extend 90000 -o md_100ns.tpr
and:
gmx mdrun -s md_100ns.tpr -cpi md_10ns.cpt -nb gpu -v
After simulation done I had the md_100ns.tpr file.
For making trajectories containing simulation steps I've used:
gmx trjconv -s md_100.tpr -f traj-comp.xtc -o md_100_noPBC.xtc -pbc mol -ur compact
However, when I'm going to make a rms plot, it contains 10-100ns simulation and it is not complete. I want to know how to figure it out. (In MS-Excel I've merged previous and current simulation and it work)