[gmx-users] g_rms v. g_rmsdist

[Gleb Solomentsev]

Hello,

I am trying to figure out what the difference between these two 
applications is. The calculation is of the RMSD for a protein unfolding 
trajectory and I get different results with g_rms and g_rmsdist. I have 
looked at the manual and all I can find is that:

"g_rmsdist computes the root mean square deviation of atom distances, 
which has the advantage that no fit is needed like in standard RMS 
deviation as computed by g_rms 
<http://www.gromacs.org/documentation/reference/online/g_rms.html>."

What fit is this referring to and would this be the source of my 
differences?

I am getting larger RMSD values using g_rms.

Thanks,
Gleb


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