[gmx-users] RMSD

Mark Abraham Mark.Abraham at anu.edu.au
Sun Jan 10 15:01:08 CET 2010

leila karami wrote:
> Hi
> I have 2 questions about rmsd calculation:
> 1) why rmsd calculation is done on heavy atoms?
> 2) what means of mass weighted superposition (rmsd is calculated after 
> mass weighted superposition)

Consider the difference between centre of mass and center of geometry... 
(Wikipedia is probably your friend here!)


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