[gmx-users] Problem in rmsf calculation

Seera Suryanarayana palusoori at gmail.com
Thu Jun 16 07:18:33 CEST 2016


Dear gromacs users,

After mdrun I have plotted the rmsf for C-alpha atoms. My protein has 143
C-alpha atoms and I expected only that number in the plot. But I got rmsf
values for all atoms of the protein(more than 2250 atoms).  I have attached
the plot for more information. What could be the reason?

Surya
Graduate student
India.


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