[Xplor-nih] Ensemble calculation of denatured protein

[Charles at schwieters.org]

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Hello Jie-rong--

> 
> Can I have a different set of OO1 PA1 PA2 atoms for each conformer and obtain
> (floating) alignment tensor for each one during calculation?  Any suggestions?

The low-level code is set up for this, but the helper tools (like
calcTensor), don't yet allow for this possibility. I plan on fixing this
within the next month or so.

best regards--
Charles
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