Running MMPBSA.MPI on 6 processors... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... ptraj found! Using /home1/zhangad/zad/soft/amber11/bin/ptraj sander found! Using /home1/zhangad/zad/soft/amber11/bin/sander for GB calculations sander found! Using /home1/zhangad/zad/soft/amber11/bin/sander for PB calculations Preparing trajectories for simulation... 10 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... calculating receptor contribution... calculating ligand contribution... Beginning PB calculations with sander... calculating complex contribution... calculating receptor contribution... calculating ligand contribution... Error: Could not parse GB output files! Check for missing values (*********). Error: Could not parse PB output files! Check for missing values (*********). Traceback (most recent call last): File "/home1/zhangad/zad/soft/amber11/AmberTools/src/mmpbsa_py/MMPBSA.py.MPI", line 1489, in file3='_MMPBSA_ligand_pb.mdout', desc='\nPOISSON BOLTZMANN:\n\n') File "/home1/zhangad/zad/soft/amber11/AmberTools/src/mmpbsa_py/MMPBSA_mods/amberoutputs.py", line 3284, in __init__ self.printdisper = not self.sander_apbs and not self._disperiszero() File "/home1/zhangad/zad/soft/amber11/AmberTools/src/mmpbsa_py/MMPBSA_mods/amberoutputs.py", line 3720, in _disperiszero abs(_avg(self.energy_data['edisper'][1])) > TOLERANCE or \ File "/home1/zhangad/zad/soft/amber11/AmberTools/src/mmpbsa_py/MMPBSA_mods/amberoutputs.py", line 2122, in _avg return sum(array) / len(array) ZeroDivisionError: integer division or modulo by zero