GROMACS version: 2022
GROMACS modification: No
I have calculated the RMSF values of a whole protein.
Later I created a new index file, selecting a few specific residues, and again calculated the RMSF on that index.
In both cases, same trajectory and tpr file were used.
But the RMSF values of the same residues are found to be different in both cases.
( I used entire residues with hydrogens in both cases)