Currently, the restart files in a MD simulation is written out based on time, by default, every 15 minutes. Is it possible to set to write out based on number of MD steps, for example, every 100000 steps and keep all the restart files? Thanks a lot!
I don’t think this is implemented. However, you can do that using mdrun -nsteps and restarting from the final snapshot as many time as necessary to get to your desired duration, probably with some script to copy the last checkpoint before restarting.