Hello everyone,
I have performed a coarse-grained simulation of a lipid bilayer system with an embedded protein using GROMACS. I attempted to run the production simulation for 50 µs.
However, I am facing a confusing issue:
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The .cpt file indicates that the run is complete. But, I notice that after around 36 µs, no frames are visible.
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The .xtc trajectory file appears to contain the full 50 µs.
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Additionally, when I calculate the RMSD, the plot shows a clear break/discontinuity around the same time point.
I have attached a screenshot of the issue for reference.
Has anyone encountered something similar? Could this be related to trajectory writing frequency, file corruption, restart issues, or precision limits in long CG simulations?
Any suggestions or guidance would be greatly appreciated.
Thank you in advance!
