Dear all,
while I am trying to refine a crystal structure with RDCs using the
refine.py script, I came across a weird result.
I had near perfect correlation between observed and calculated RDCs
values, which was fishy. After addition of 5Hz systematic noise to all
RDCs, i still had perfect correlation and nice convergence with no
violations(!). Initially i thought that there was something wrong with
my experimental setup (since i only used RDCs+dihedrals restrains), but
I had exactly the same result when I changed also the gb1 tutorial RDCs
values.
So to sum it up, I used the tutorial script (refine.py) and input files
for RDC refinement, regardless of how much I alter the RDCs values (i
tried up to +6Hz noise addition) I get always nice convergence, perfect
correlation obs/calc with no violations.
Is this how it should be or do I miss/mess somthing?
thank you very much!!
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