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Total unperturbed charge: 0.002000
Total perturbed charge: 0.002000
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Total unperturbed charge: -20.000000
Total perturbed charge: -20.000000
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Total unperturbed charge: -19.998000
Total perturbed charge: -19.998000
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Reading command-line arguments and input files...
Loading and checking parameter files for compatibility...
mmpbsa_py_energy found! Using /home/user/amber12/bin/mmpbsa_py_energy
cpptraj found! Using /home/user/amber12/bin/cpptraj
Preparing trajectories for simulation...
51 frames were processed by cpptraj for use in calculation.
Beginning PB calculations with /home/user/amber12/bin/mmpbsa_py_energy
calculating complex contribution...
CalcError: /home/user/amber12/bin/mmpbsa_py_energy failed with prmtop complex.prmtop!
Exiting. All files have been retained.
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