[gmx-users] Questions on residue RMSF

YanhuaOuyang 15901283893 at 163.com
Mon Jan 29 13:45:07 CET 2018

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,

More information about the gromacs.org_gmx-users mailing list