Restarting using gro file

GROMACS version: 2018
GROMACS modification: No
Here post your question

Hi, I would like to extend a previously run 10 ns simulation by another 10 ns. I have mistakenly deleted the checkpoint file. Is it possible to continue the simulation using the final gro file generated from the first 10 ns mdrun? Generating a tpr file using the same mdp parameters and final gro file from previous 10 ns, can extend the earlier 10 ns to get a 20 ns trajectory after possible concatenation

To generate a new run, you can generate a new tpr using the gro file of the last frame (having both coordinates and velocities). If you want you can change the starting time and put gen_vel = no in the mdp file. In such a way you will start from the last sampled point of the phase space
Best regards

Thank you Alessandra for your suggestion