[Xplor-nih] ensemble refinement with order parameters

[Charles at Schwieters.org]

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Hello Matthias--

> I am wondering whether you or anyone has an example of
> refining an ensemble with Lipari-Szabo order parameters?
> The capability seems to be there in xplor-nih (see OrderPot
> in python help files) but has anyone used it? A test case would
> be helpful if it exists.

In the prerelease version there is an example script in
eginput/gb3_ensemble/order.py

http://nmr.cit.nih.gov/xplor-nih/prerelease/

Please let me know if you have problems with this.

regards--
Charles
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