Loading and checking parameter files for compatibility... mmpbsa_py_energy found! Using /Users/3i521409/Programs/amber12/bin/mmpbsa_py_energy cpptraj found! Using /Users/3i521409/Programs/amber12/bin/cpptraj Preparing trajectories for simulation... 1000 frames were processed by cpptraj for use in calculation. Running calculations on normal system... Beginning GB calculations with /Users/3i521409/Programs/amber12/bin/mmpbsa_py_energy calculating complex contribution... CalcError: /Users/3i521409/Programs/amber12/bin/cpptraj failed with prmtop 3n7h_ind.prmtop! Error occured on rank 2. Exiting. All files have been retained. application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2 =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = PID 1219 RUNNING AT itvds-ws026.local = EXIT CODE: 1 = CLEANING UP REMAINING PROCESSES = YOU CAN IGNORE THE BELOW CLEANUP MESSAGES ===================================================================================