[Xplor-nih] alignment tensor

[Charles at Schwieters.org]

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Hello Irina--

> 
> > what are the values you get?
> 
> Da=-20
> R=0.67
> 
> > I would suggest
> > using the anneal.py script as a template- this script only allows Da and
> > Rh to vary only during final minimzation.
> 
> Yes, that what I am using. R does not change. It is 0.667. But Da=-50.

- -50 is not very close to -20, so it's likely something is wrong- either
in the input value of Da, Rh, or in the NOE data. Sorry I can't be more
specific. You say that the structures are more converged. Does this
include those for which Da goes to -50?

best regards--
Charles
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