Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Reading command-line arguments and input files... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Loading and checking parameter files for compatibility... Reading command-line arguments and input files... Reading command-line arguments and input files... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Loading and checking parameter files for compatibility... Loading and checking parameter files for compatibility... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Reading command-line arguments and input files... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Loading and checking parameter files for compatibility... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Reading command-line arguments and input files... Reading command-line arguments and input files... Loading and checking parameter files for compatibility... Loading and checking parameter files for compatibility... ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj ptraj found! Using /software/amber11/bin/ptraj sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for GB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for PB calculations sander found! Using /software/amber11/bin/sander for PB calculations Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... Preparing trajectories for simulation... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... 4 frames were read in and processed by ptraj for use in calculation. Beginning GB calculations with sander... calculating complex contribution... bad atom type: FE bad atom type: FE bad atom type: FE bad atom type: FE Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. bad atom type: FE bad atom type: FE Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. bad atom type: FE bad atom type: FE Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. bad atom type: FE bad atom type: FE bad atom type: FE Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Error: sander error during GB calculations! Error: sander error during GB calculations!NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. bad atom type: FE Error: sander error during GB calculations! NOTE: All files have been retained for debugging purposes. Type MMPBSA.py --clean to erase these files. Exit code -5 signaled from bnode11 Killing remote processes...MPI process terminated unexpectedly DONE