Hi, gromacs users
I have some qestions about the tpr files, I want to extract the energy of
subset via
tpbconv -f all.tpr -n index.ndx -nsteps -1 -o subset.tpr
mdrun -rerun subset.trr -s subset.tpr
where the subset atom was defined in index file. I obtain the following
error:
Software inconsistency error:
Position restraint coordinates are missing
the atom of subset did not be confined. I just confined some other
atoms.
what should I do ? Any suggestion is appreciated. Thank you very much!
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