[gmx-users] Calculate RMSD for specific residue.

Dawid das addiw7 at googlemail.com
Tue Aug 19 14:10:12 CEST 2014

Dear Gromacs experts,

How can I calculate RMSD as a fucntion of time for one residue in my
protein? Let's say I have a part of my sequence:
...-Phe-Ala-Ser-CH6-Tyr-Met-Cys-Gly-... . Now I want to get a plot of RMSD
versus time for CH6 (my newly introduced residue).
I can't find such an option in g_rms and what g_rmsf -od is not what I am
interested in or I understood something incorrectly.

Best wishes,

Dawid Grabarek

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