While peforming entropy calculation using MMPBSA.py, I get the message:
Line minimizer aborted: step at upper bound 0.074487672
Line minimizer aborted: step at upper bound 0.00086134154
Line minimizer aborted: step at upper bound 0.0014747638
Line minimizer aborted: step at upper bound 0.012288468
Line minimizer aborted: step at upper bound 0.055832154
Line minimizer aborted: step at upper bound 0.00056890766
Line minimizer aborted: step at upper bound 7.3399234e-05
Line minimizer aborted: step at upper bound 0.096555206
Line minimizer aborted: step at upper bound 0.0012406
and this continues.
What should be done to get rid of this??
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Received on Thu Sep 18 2014 - 01:30:02 PDT
