Re: Relative RMSD constraint

From: Alexander Predeus (
Date: Wed Aug 17 2011 - 02:31:56 CDT


First of all, I don't believe you have the formula right, this seems
like a sum of multiple relative RMSD constraints with different

As for relative RMSD constraint, you can do it using colvar module.

Define 2 different colvars using rmsd component:

and then add a harmonic restraint to (var1-var2-offset)

-- Alex Predeus
Michigan State University

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