Check point file

User discussions
1

GROMACS version:2020
GROMACS modification: No

Hi every body

I am new at GROMAC.
Why my 2020 gromacs dont make check point file(cpt)??
in the following link:


part 2.6 nvt.cpt has not been made.
Pls guid me.
Thanks.
2

Checkpoint files are made every few minutes (15 by default) so if they are not getting written, probably the simulation is not running. Check stderr/stdout and the .log file produced by mdrun for information about what might have happened.

3

Thanks, I’m going to check it.

4

If run time was smaller than the interval time for making cpt then how is it possible to manage the interval time for making cpt files?

5

If the simulation completes successfully, then a checkpoint file should be written at the end of the run, corresponding to the final state of the simulation.

6

thank you.

7

You can also set the time interval of writing a checkpoint file with -cpt option of gmx mdrun.