Discussion group for the ARIA software

["Vitaliy Gorbatyuk" <vitaliy_gor AT hotmail.com>]

Hello experts,

I am trying to run aria2.3.1 with spin diffusion correction but it returns me
the following error:
MESSAGE [Relaxation]: Calculating distances matrix ...
MESSAGE [Relaxation]: Done ...
MESSAGE [Protocol]: Calibrating spectrum "NOESYmix0.5"...
Traceback (most recent call last):
  File "/usr/software/aria2.3/aria2.py", line 903, in <module>
    verbose_level, use_condor=condor)
  File "/usr/software/aria2.3/aria2.py", line 813, in run_aria
    project.go(use_condor)
  File "/usr/software/aria2.3/src/py/aria/Project.py", line 1574, in go
    self.run_protocol(first_iteration)
  File "/usr/software/aria2.3/src/py/aria/Project.py", line 1580, in
run_protocol
    last_iteration = self.getProtocol().go(iteration, self.getMolecule())
  File "/usr/software/aria2.3/src/py/aria/Protocol.py", line 1730, in go
    iteration = self.start(iteration, molecule)
  File "/usr/software/aria2.3/src/py/aria/Protocol.py", line 1714, in start
    return self.run_protocol(molecule, iteration)
  File "/usr/software/aria2.3/src/py/aria/Protocol.py", line 2182, in
run_protocol
    is_first_it)
  File "/usr/software/aria2.3/src/py/aria/Protocol.py", line 1903, in
run_iteration
    factor = self.doCalibration(peaks, ensemble)
  File "/usr/software/aria2.3/src/py/aria/Protocol.py", line 1497, in
doCalibration
    factor = f(restraints, ensemble, store_analysis = store_analysis)
  File "/usr/software/aria2.3/src/py/aria/Calibrator.py", line 136, in
calculateEstimator
    model_peak_sizes = numpy.array([f(p, ensemble) for p in peaks])
  File "/usr/software/aria2.3/src/py/aria/NOEModel.py", line 190, in
calculatePeaksize
    lstintens.append(intensities[sp1,sp2])
IndexError: only integers, slices (`:`), ellipsis (`...`), numpy.newaxis
(`None`) and integer or boolean arrays are valid indices

Can somebody please give me suggestions about what could be wrong? Without the
spin diffusion correction enabled the calculations run OK.

Thank you,
Vitaliy