No default Angle types

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1

Hello Gromacs users:
I’m doing simulation on

Screenshot 2024-09-08 174428
Screenshot 2024-09-08 174428888×1388 33.6 KB

peptides contain new residue, and I encounter errors when forming em.tpr

ERROR 1 [file topol_Protein_chain_A.itp, line 496]:
No default Bond types

ERROR 2 [file topol_Protein_chain_A.itp, line 525]:
No default Bond types

ERROR 3 [file topol_Protein_chain_A.itp, line 1808]:
No default Angle types

ERROR 4 [file topol_Protein_chain_A.itp, line 1809]:
No default Angle types

ERROR 5 [file topol_Protein_chain_A.itp, line 1816]:
No default Angle types

ERROR 6 [file topol_Protein_chain_A.itp, line 1817]:
No default Angle types

ERROR 7 [file topol_Protein_chain_A.itp, line 1818]:
No default Angle types

ERROR 8 [file topol_Protein_chain_A.itp, line 1862]:
No default Angle types

ERROR 9 [file topol_Protein_chain_A.itp, line 1863]:
No default Angle types

ERROR 10 [file topol_Protein_chain_A.itp, line 1867]:
No default Angle types

ERROR 11 [file topol_Protein_chain_A.itp, line 1868]:
No default Angle types

ERROR 12 [file topol_Protein_chain_A.itp, line 1869]:
No default Angle types

ERROR 13 [file topol_Protein_chain_A.itp, line 2569]:
No default Proper Dih. types

ERROR 14 [file topol_Protein_chain_A.itp, line 2570]:
No default Proper Dih. types

ERROR 15 [file topol_Protein_chain_A.itp, line 2571]:
No default Proper Dih. types

ERROR 16 [file topol_Protein_chain_A.itp, line 2572]:
No default Proper Dih. types

ERROR 17 [file topol_Protein_chain_A.itp, line 2573]:
No default Proper Dih. types

ERROR 18 [file topol_Protein_chain_A.itp, line 2574]:
No default Proper Dih. types

ERROR 19 [file topol_Protein_chain_A.itp, line 2641]:
No default Proper Dih. types

ERROR 20 [file topol_Protein_chain_A.itp, line 2642]:
No default Proper Dih. types

ERROR 21 [file topol_Protein_chain_A.itp, line 2643]:
No default Proper Dih. types

ERROR 22 [file topol_Protein_chain_A.itp, line 2644]:
No default Proper Dih. types

ERROR 23 [file topol_Protein_chain_A.itp, line 2645]:
No default Proper Dih. types

ERROR 24 [file topol_Protein_chain_A.itp, line 2646]:
No default Proper Dih. types

ERROR 25 [file topol_Protein_chain_A.itp, line 3113]:
Duplicate atom index (150) in dihedrals

ERROR 26 [file topol_Protein_chain_A.itp, line 3113]:
No default Per. Imp. Dih. types

ERROR 27 [file topol_Protein_chain_A.itp, line 3114]:
No default Per. Imp. Dih. types

ERROR 28 [file topol_Protein_chain_A.itp, line 3118]:
No default Per. Imp. Dih. types

ERROR 29 [file topol_Protein_chain_B.itp, line 496]:
No default Bond types

ERROR 30 [file topol_Protein_chain_B.itp, line 525]:
No default Bond types

ERROR 31 [file topol_Protein_chain_B.itp, line 1808]:
No default Angle types

ERROR 32 [file topol_Protein_chain_B.itp, line 1809]:
No default Angle types

ERROR 33 [file topol_Protein_chain_B.itp, line 1816]:
No default Angle types

ERROR 34 [file topol_Protein_chain_B.itp, line 1817]:
No default Angle types

ERROR 35 [file topol_Protein_chain_B.itp, line 1818]:
No default Angle types

ERROR 36 [file topol_Protein_chain_B.itp, line 1862]:
No default Angle types

ERROR 37 [file topol_Protein_chain_B.itp, line 1863]:
No default Angle types

ERROR 38 [file topol_Protein_chain_B.itp, line 1867]:
No default Angle types

ERROR 39 [file topol_Protein_chain_B.itp, line 1868]:
No default Angle types

ERROR 40 [file topol_Protein_chain_B.itp, line 1869]:
No default Angle types

ERROR 41 [file topol_Protein_chain_B.itp, line 2569]:
No default Proper Dih. types

ERROR 42 [file topol_Protein_chain_B.itp, line 2570]:
No default Proper Dih. types

ERROR 43 [file topol_Protein_chain_B.itp, line 2571]:
No default Proper Dih. types

ERROR 44 [file topol_Protein_chain_B.itp, line 2572]:
No default Proper Dih. types

ERROR 45 [file topol_Protein_chain_B.itp, line 2573]:
No default Proper Dih. types

ERROR 46 [file topol_Protein_chain_B.itp, line 2574]:
No default Proper Dih. types

ERROR 47 [file topol_Protein_chain_B.itp, line 2641]:
No default Proper Dih. types

ERROR 48 [file topol_Protein_chain_B.itp, line 2642]:
No default Proper Dih. types

ERROR 49 [file topol_Protein_chain_B.itp, line 2643]:
No default Proper Dih. types

ERROR 50 [file topol_Protein_chain_B.itp, line 2644]:
No default Proper Dih. types

ERROR 51 [file topol_Protein_chain_B.itp, line 2645]:
No default Proper Dih. types

ERROR 52 [file topol_Protein_chain_B.itp, line 2646]:
No default Proper Dih. types

ERROR 53 [file topol_Protein_chain_B.itp, line 3113]:
Duplicate atom index (150) in dihedrals

ERROR 54 [file topol_Protein_chain_B.itp, line 3113]:
No default Per. Imp. Dih. types

ERROR 55 [file topol_Protein_chain_B.itp, line 3114]:
No default Per. Imp. Dih. types

ERROR 56 [file topol_Protein_chain_B.itp, line 3118]:
No default Per. Imp. Dih. types

ERROR 57 [file topol_Protein_chain_C.itp, line 496]:
No default Bond types

ERROR 58 [file topol_Protein_chain_C.itp, line 525]:
No default Bond types

ERROR 59 [file topol_Protein_chain_C.itp, line 1808]:
No default Angle types

ERROR 60 [file topol_Protein_chain_C.itp, line 1809]:
No default Angle types

ERROR 61 [file topol_Protein_chain_C.itp, line 1816]:
No default Angle types

ERROR 62 [file topol_Protein_chain_C.itp, line 1817]:
No default Angle types

ERROR 63 [file topol_Protein_chain_C.itp, line 1818]:
No default Angle types

ERROR 64 [file topol_Protein_chain_C.itp, line 1862]:
No default Angle types

ERROR 65 [file topol_Protein_chain_C.itp, line 1863]:
No default Angle types

ERROR 66 [file topol_Protein_chain_C.itp, line 1867]:
No default Angle types

ERROR 67 [file topol_Protein_chain_C.itp, line 1868]:
No default Angle types

ERROR 68 [file topol_Protein_chain_C.itp, line 1869]:
No default Angle types

ERROR 69 [file topol_Protein_chain_C.itp, line 2569]:
No default Proper Dih. types

ERROR 70 [file topol_Protein_chain_C.itp, line 2570]:
No default Proper Dih. types

ERROR 71 [file topol_Protein_chain_C.itp, line 2571]:
No default Proper Dih. types

ERROR 72 [file topol_Protein_chain_C.itp, line 2572]:
No default Proper Dih. types

ERROR 73 [file topol_Protein_chain_C.itp, line 2573]:
No default Proper Dih. types

ERROR 74 [file topol_Protein_chain_C.itp, line 2574]:
No default Proper Dih. types

ERROR 75 [file topol_Protein_chain_C.itp, line 2641]:
No default Proper Dih. types

ERROR 76 [file topol_Protein_chain_C.itp, line 2642]:
No default Proper Dih. types

ERROR 77 [file topol_Protein_chain_C.itp, line 2643]:
No default Proper Dih. types

ERROR 78 [file topol_Protein_chain_C.itp, line 2644]:
No default Proper Dih. types

ERROR 79 [file topol_Protein_chain_C.itp, line 2645]:
No default Proper Dih. types

ERROR 80 [file topol_Protein_chain_C.itp, line 2646]:
No default Proper Dih. types

ERROR 81 [file topol_Protein_chain_C.itp, line 3113]:
Duplicate atom index (150) in dihedrals

ERROR 82 [file topol_Protein_chain_C.itp, line 3113]:
No default Per. Imp. Dih. types

ERROR 83 [file topol_Protein_chain_C.itp, line 3114]:
No default Per. Imp. Dih. types

ERROR 84 [file topol_Protein_chain_C.itp, line 3118]:
No default Per. Imp. Dih. types

please help to solve the issue