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Rigid body perturbation while docking

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Rigid body perturbation while docking

ERROR: NAN occurred in H-bonding calculations!
ERROR:: Exit from: core/scoring/hbonds/ line: 1122
Traceback (most recent call last):
  File "", line 118, in <module>
    jobs, job_output)
  File "", line 79, in sample_docking
RuntimeError: unidentifiable C++ exception

Post Situation: 
Fri, 2015-12-11 02:14

Usually when you get  the "NAN occurred in H-bonding calculations!" it's because you have a structure that has a major deficiency in it. Most commonly you have overlapping atoms. How are you preping you strucutures before you do your docking run? Do you have a number of residues which all have, say, zero coordinates? 

Wed, 2015-12-16 11:25