[gmx-users] Questions on residue RMSF

[YanhuaOuyang]

Dear gromacs users,
        I have run a MD of 2 short peptides respectively, I want to compare the flexibility between these two peptides along the full sequence via the per-residue RMSF.

I wonder that should I use "nofit" of "fit" option when I calculate the per-residue RMSF of a trajectory using gmx rmsf ? What is the difference between using "fit" and "nofit" option?


Best regards,
Ouyang