[Xplor-nih] [Fwd: Re: Advice on RDC refinement]

[Charles at Schwieters.org]

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Hello Andrew--

> One final questions.  After running refine.py, the orientational tensor 
> atoms end up sitting right on top of my peptide.  Can I assume that no 
> interactions are calculated between the tensor atoms and anything else?
> 

Correct. There should be no interactions. To confirm this, you could
look at the VDW entry in the .viols file and make sure no tensor atoms
are listed.

best regards--
Charles
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