okay thanks for the advice.
Just trying to get SAXSRestraint working now ...
I get the following error:
> Profile is not sampled for q = 0.0054794, q_max = 0.5
> You can remove points with q > 0.5 from the experimental profile or
> recompute the profile with higher max_q
>
I'm slightly confused as 0.0054795 < 0.5, and also there are no values in
my .dat file above 0.5. Finally, there doesn't seem to be a way to alter
the max_q through the pmi module, would i have to go through the C++ ?
Thanks,
josh
