Output Message

Welcome to antechamber 20.0: molecular input file processor. Info: Total number of electrons: 494; net charge: 0 Running: /usr/local/amber/bin/mopac.sh Warning: For atom (ID: 15, Name: O) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 18, Name: OD1) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 19, Name: N) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 22, Name: O) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 26, Name: ND1) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 28, Name: NE2) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 47, Name: O) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 51, Name: NE) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 53, Name: NH1) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 54, Name: NH2) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 55, Name: N) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 58, Name: O) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 65, Name: NE1) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 69, Name: N) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 72, Name: O) the best APS is not zero. Bonds involving this atom are frozen. Warning: For atom (ID: 77, Name: NZ) the best APS is not zero. Bonds involving this atom are frozen. ---Judge bond type for Residue 1 with ID of 0 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 1 and Name of MOL --- Info: Bond types are assigned for valence state (4) with penalty (1). ---Judge bond type for Residue 3 with ID of 2 and Name of MOL --- Info: Bond types are assigned for valence state (4) with penalty (1). ---Judge bond type for Residue 4 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 5 with ID of 4 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 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 7 with ID of 6 and Name of MOL --- ---Judge bond type for Residue 8 with ID of 7 and Name of MOL ---