GROMACS version: 2018.7
GROMACS modification: No
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Dear GMX experts,
I performed a MD simulation. After than, I applied -rerun option for specific groups. However, I received an error “WARNING: Incomplete frame: nr 3355 time 33550”.
When I check old discussion on the internet, there is a discussion that I can overwrite the incomplete frame.
If you have any experience, please guide me to overwrite this incomplete frame.
Best regards,
Mijiddorj
Hi,
It looks that your trajectory file comes from a run that was stopped without having the time to same the whole frame, or if it got corrupted.
Remove the frame from the trj file before performing mdrun -rerun.
Kind regards
Alessandra
Dear Alessandra,
Thank you very much for your kind explanation. I am sorry for asking further. I could not find the frame removing tool information from user guide. Please tell me what kind of tool can I use?
Best regards,
Mijiddorj
You can use eneconv
and trjconv
for energy and trajectory files, respectively, and save ranges of frames using the -b
and -e
options to work around a broken frame.
Hey @mijiddorj ,
I hope you are doing great!
Could you tell me the detailed steps to solve this issue?
I am also facing the same issue.
Regards,
Puneet