GROMACS version: 2023.1
GROMACS modification: No
I am running a simulation where gmx mdrun and post-processing tools like gmx distance complain “There were 20 inconsistent shifts. Check your topology”. Looking at the structure, there appears to be no issues. The molecule is periodic and periodic-molecules = yes is in mdp file.
When troubleshooting issues in grompp, -debug flag gives a lot of information about errors. Is there something similar I can use to get more details about the errors appearing with gmx mdrun. Secondly, how can I fix the inconsistent shifts error?
Thanks,
Raman