Hi,
I have a question regarding NMR refinement. Is it common to see an increase in
backbone RMSD in going from structure determination to after water refinement?
After structure determination using CYANA my backbone RMSD is .27 A, but after
water refinement is .55 A. I realize this isnt a big deal since .55 is still
really tight but i was just curious if this is common? My force constants for
dihedral angles are 50 and distance restraints is 20. I am asking because i
notice that other papers that use the CYANA and AMBER combo have really low RMSD
(.25-.40) while having nearly the same number of restraints. Just making sure
my method is proper.
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Received on Wed Aug 11 2010 - 09:30:05 PDT
