Problem in the final step for 200 ns

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1

GROMACS version:
GROMACS modification: Yes/No
Here post your question After setting up the md.mdp file for 200 ns i checked the log file I saw it is only for 20 ns but the steps r ok

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IMG20230326182747
IMG202303261827471920×2560 399 KB

This what I am getting when I am setting it for 200 ns

3

If mdrun is exiting normally after 20 ns, that probably means you just left off a zero in setting the number of steps for the run, so you got 20 ns instead of 200 ns.

5

There should be five zeros right

6

mdrun says you specified 10000000 steps.

10000000 steps * 0.002 ps/step = 20000 ps (20 ns) ← what you did
100000000 steps * 0.002 ps/step = 200000 ps (200 ns) ← what you wanted