Hello Hou--
>
> I am sorry I did not make it clear.
> For Da, Rh set, they had true values. And all restraints are tbl-format.
> During the calculation, I set
> atensor.setFreedom('varyDa, varyRh')
> btensor.setFreedom('varyDa, varyRh')
> to allow the tensor paramters float.
>
ok. I believe this is your current problem:
> Until now, only one rdc set or pcs set works well, but when I add two rdc sets
> (from different paramagnetic center) , and set the tensor paramamter
> separately, the generated ANI residues are almost identical(it should be
> different obviously) after calculation.
>
Do you mean that the Saupe tensors are nearly identical? The raw
tensors and derived quantities, such as Da and rhombicity are reported
in the PDB headers of the calculated structures. Of course, they may
be similar by accident, but it does seem unlikely. Do the
back-calculated RDC and PCS values fit the observed values?
Charles
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