Is it possible in GROMACS to save checkpoint file every specific step?

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1

GROMACS version:2020.2
GROMACS modification: No
I have a question. I want to have cpt file every 10 000 000 steps. Is it possible to do that? I know that I can use option -cpt to save every specific time in minutes, but is it possible to do it in case of steps?

2

Hi,
no that is not possible. An option is to stop the run at the desired number of step to get cpt file at a desired point and save it.
Best regards
Alessandra

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