Output Message

Welcome to antechamber 20.0: molecular input file processor. Warning: Detected more than 10 Residue sequence numbers; this may be a large multiple residue PDB file; large multiple residue PDB files are not supported. This warning usually indicates a conceptual misunderstanding. We recommend reviewing the Information flow in Amber documentation and the antechamber tutorials. Continuing, but problems may be encountered. Info: The bond number exceeds MAXBOND, reallocate memory automatically Info: The number of bonds (512) exceeded MAXBOND. ---Judge bond type for Residue 1 with ID of 1 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 2 with ID of 2 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---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 --- 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 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 --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 7 with ID of 7 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 8 with ID of 8 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 9 with ID of 9 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 10 with ID of 10 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 11 with ID of 11 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 12 with ID of 12 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 13 with ID of 13 and Name of MOL --- Info: Bond types are assigned for valence state (19) with penalty (1). ---Judge bond type for Residue 14 with ID of 14 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 15 with ID of 15 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 16 with ID of 16 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 17 with ID of 17 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 18 with ID of 18 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 19 with ID of 19 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 20 with ID of 20 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 21 with ID of 21 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 22 with ID of 22 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 23 with ID of 23 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 24 with ID of 24 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 25 with ID of 25 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 26 with ID of 26 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 27 with ID of 27 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 28 with ID of 28 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 29 with ID of 29 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 30 with ID of 30 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 31 with ID of 31 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 32 with ID of 32 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 33 with ID of 33 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 34 with ID of 34 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 35 with ID of 35 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 36 with ID of 36 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 37 with ID of 37 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 38 with ID of 38 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 39 with ID of 39 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 40 with ID of 40 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 41 with ID of 41 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 42 with ID of 42 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 43 with ID of 43 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 44 with ID of 44 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 45 with ID of 45 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 46 with ID of 46 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 47 with ID of 47 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 48 with ID of 48 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 49 with ID of 49 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 50 with ID of 50 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 51 with ID of 51 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 52 with ID of 52 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 53 with ID of 53 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 54 with ID of 54 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 55 with ID of 55 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 56 with ID of 56 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 57 with ID of 57 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 58 with ID of 58 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 59 with ID of 59 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 60 with ID of 60 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 61 with ID of 61 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 62 with ID of 62 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 63 with ID of 63 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 64 with ID of 64 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 65 with ID of 65 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 66 with ID of 66 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 67 with ID of 67 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 68 with ID of 68 and Name of MOL --- Info: Bond types are assigned for valence state (19) with penalty (1). ---Judge bond type for Residue 69 with ID of 69 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 70 with ID of 70 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 71 with ID of 71 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 72 with ID of 72 and Name of MOL --- Info: Bond types are assigned for valence state (19) with penalty (1). ---Judge bond type for Residue 73 with ID of 73 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 74 with ID of 74 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 75 with ID of 75 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 76 with ID of 76 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 77 with ID of 77 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 78 with ID of 78 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 79 with ID of 79 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 80 with ID of 80 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 81 with ID of 81 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 82 with ID of 82 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 83 with ID of 83 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 84 with ID of 84 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 85 with ID of 85 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 86 with ID of 86 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 87 with ID of 87 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 88 with ID of 88 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 89 with ID of 89 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 90 with ID of 90 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 91 with ID of 91 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 92 with ID of 92 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 93 with ID of 93 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 94 with ID of 94 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 95 with ID of 95 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 96 with ID of 96 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 97 with ID of 97 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 98 with ID of 98 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 99 with ID of 99 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 100 with ID of 100 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 101 with ID of 101 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 102 with ID of 102 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 103 with ID of 103 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 104 with ID of 104 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 105 with ID of 105 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 106 with ID of 106 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 107 with ID of 107 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 108 with ID of 108 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 109 with ID of 109 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 110 with ID of 110 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 111 with ID of 111 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 112 with ID of 112 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 113 with ID of 113 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 114 with ID of 114 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 115 with ID of 115 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 116 with ID of 116 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 117 with ID of 117 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 118 with ID of 118 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 119 with ID of 119 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 120 with ID of 120 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 121 with ID of 121 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 122 with ID of 122 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 123 with ID of 123 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 124 with ID of 124 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 125 with ID of 125 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 126 with ID of 126 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 127 with ID of 127 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 128 with ID of 128 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 129 with ID of 129 and Name of MOL --- Info: Bond types are assigned for valence state (10) with penalty (2). ---Judge bond type for Residue 130 with ID of 130 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 131 with ID of 131 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 132 with ID of 132 and Name of MOL --- Info: Bond types are assigned for valence state (19) with penalty (1). ---Judge bond type for Residue 133 with ID of 133 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 134 with ID of 134 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 135 with ID of 135 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 136 with ID of 136 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 137 with ID of 137 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 138 with ID of 138 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 139 with ID of 139 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 140 with ID of 140 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 141 with ID of 141 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 142 with ID of 142 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 143 with ID of 143 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 144 with ID of 144 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 145 with ID of 145 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 146 with ID of 146 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 147 with ID of 147 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 148 with ID of 148 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 149 with ID of 149 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 150 with ID of 150 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 151 with ID of 151 and Name of MOL --- Info: Bond types are assigned for valence state (80) with penalty (2). ---Judge bond type for Residue 152 with ID of 152 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 153 with ID of 153 and Name of MOL --- Info: Bond types are assigned for valence state (19) with penalty (1). ---Judge bond type for Residue 154 with ID of 154 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 155 with ID of 155 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 156 with ID of 156 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 157 with ID of 157 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 158 with ID of 158 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 159 with ID of 159 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 160 with ID of 160 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 161 with ID of 161 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 162 with ID of 162 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 163 with ID of 163 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 164 with ID of 164 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 165 with ID of 165 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 166 with ID of 166 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 167 with ID of 167 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 168 with ID of 168 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 169 with ID of 169 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 170 with ID of 170 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 171 with ID of 171 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 172 with ID of 172 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 173 with ID of 173 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 174 with ID of 174 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 175 with ID of 175 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 176 with ID of 176 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 177 with ID of 177 and Name of MOL --- Info: Bond types are assigned for valence state (18) with penalty (1). ---Judge bond type for Residue 178 with ID of 178 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 179 with ID of 179 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 180 with ID of 180 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 181 with ID of 181 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 182 with ID of 182 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 183 with ID of 183 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 184 with ID of 184 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 185 with ID of 185 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 186 with ID of 186 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 187 with ID of 187 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 188 with ID of 188 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 189 with ID of 189 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 190 with ID of 190 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 191 with ID of 191 and Name of MOL --- Info: Bond types are assigned for valence state (7) with penalty (1). ---Judge bond type for Residue 192 with ID of 192 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 193 with ID of 193 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 194 with ID of 194 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 195 with ID of 195 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 196 with ID of 196 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 197 with ID of 197 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 198 with ID of 198 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 199 with ID of 199 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 200 with ID of 200 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 201 with ID of 201 and Name of MOL --- Info: Bond types are assigned for valence state (49) with penalty (2). ---Judge bond type for Residue 202 with ID of 202 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 203 with ID of 203 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 204 with ID of 204 and Name of MOL --- Info: Bond types are assigned for valence state (10) with penalty (2). ---Judge bond type for Residue 205 with ID of 205 and Name of MOL --- Info: Bond types are assigned for valence state (60) with penalty (2). ---Judge bond type for Residue 206 with ID of 206 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 207 with ID of 207 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 208 with ID of 208 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 209 with ID of 209 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 210 with ID of 210 and Name of MOL --- Info: Bond types are assigned for valence state (19) with penalty (1). ---Judge bond type for Residue 211 with ID of 211 and Name of MOL --- Info: Bond types are assigned for valence state (3) with penalty (2). ---Judge bond type for Residue 212 with ID of 212 and Name of MOL --- Info: Bond types are assigned for valence state (36) with penalty (2). ---Judge bond type for Residue 213 with ID of 213 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 214 with ID of 214 and Name of MOL --- Info: Bond types are assigned for valence state (80) with penalty (2). ---Judge bond type for Residue 215 with ID of 215 and Name of MOL --- Info: Bond types are assigned for valence state (1) with penalty (1). ---Judge bond type for Residue 216 with ID of 216 and Name of MOL --- Info: Bond types are assigned for valence state (10) with penalty (2). ---Judge bond type for Residue 217 with ID of 217 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 218 with ID of 218 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: The number of bonds (512) exceeded MAXBOND.