Output Message

Welcome to antechamber 20.0: molecular input file processor. ---Judge bond type for Residue 1 with ID of 1 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 2 with ID of 2 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 3 with ID of 3 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 4 with ID of 4 and Name of MOL --- Info: Bond types are assigned for valence state (5) with penalty (1). ---Judge bond type for Residue 5 with ID of 5 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 6 with ID of 6 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 7 with ID of 7 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 8 with ID of 8 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (1). ---Judge bond type for Residue 9 with ID of 9 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). ---Judge bond type for Residue 10 with ID of 10 and Name of MOL --- Info: Bond types are assigned for valence state (117) with penalty (2). ---Judge bond type for Residue 11 with ID of 11 and Name of MOL --- ---Judge bond type for Residue 12 with ID of 12 and Name of MOL --- Warning: The assigned bond types may be wrong, please : (1) double check the structure (the connectivity) and/or (2) adjust atom valence penalty parameters in APS.DAT, and/or (3) increase PSCUTOFF in define.h and recompile bondtype.c (be cautious, using a large value of PSCUTOFF (>100) will significantly increase the computation time). Info: Total number of electrons: 468; net charge: 1 Running: /usr/local/amber/bin/mopac.sh