Hello Mikaela--
>
> I am doing a structure refinement using RDCs with refine.py.? I have
> several residues that I would like to allow the RDCs to vary more
> because they are broadened and thus the measurement isn't as
> accurate.? I know that the "error" value in the RDC input table
> isn't used for a harmonic potential, but is there another way to
> specify residue specific error?? Does anyone know what is typically
> done in these cases?? Thank you for your help!
>
You can divide the rdcs into separate classes based on the broadening
and use a separate potential term with different force constant (but
the same alignment tensor) for each class. Alternately, you might try
using the ``square well'' potential with appropriate errors placed in
each assignment statement.
hope this helps--
Charles
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--
Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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