Hi,
I’m currently using GROMACS for a simulation of 50 ns.
I started the run with this command through ssh terminal :
gmx mdrun -deffnm md -nb gpu
Because this simulation is very long (12-24 h) I want to close the terminal this evening and then restart it tomorrow morning.
Anyone can tell me how to restart this simulation ?
Hi,
you can restart a simulation from the checkpoint file. You can find more here: Managing long simulations — GROMACS 2021.5 documentation
\Alessandra
I’ve used :
gmx mdrun -deffnm md -cpi md.cpt -v
Is it correct ?