[Xplor-nih] Ensemble calculation of denatured protein

[Charles at schwieters.org]

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Hello Jie-rong--

> 
> Yes, you are right!I  If All PRE related terms are taken out, the script can
> be finished, except: tmsp in checkAndCorrect is too small and I changed it
> from 1.0e-4 to 1.0e-6 to make program go through this error.  How can I fix
> the problem about these PREs?  Thanks a lot!!
> 

I noticed that all of your PRE terms are zero. Perhaps no restraints
were read in. Please call the method showRestraints(0) for each of these
terms to make sure the restraints were read in ok. Something like:

print preEs2hn500.showRestraints(0)

Charles

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