;;; MARTINI 2.1 coarse-grained topology for DNA ;;; 12-base pair double stranded DNA d(CCCCCTTTTTCC)2 ; Provided by Syma Khalid (S.Khalid@soton.ac.uk) ; ; PLEASE CITE (and view for details): ; ; Corsi et al, Langmuir. 2010, 26(14):12119-25. [ moleculetype ] dna 1 [ atoms ] 1 Na 1 DC O4' 1 0 2 C 2 DC C2' 2 0 3 Na 3 DC C2 3 0 4 Nd 4 DC C4 4 0 5 Qa 5 DG P 5 -1 6 Na 6 DG O4' 6 0 7 C 7 DG C2' 7 0 8 Na 8 DG C8 8 0 9 Nda 9 DG C6 9 0 10 Nda 10 DG C2 10 0 11 Qa 11 DC P 11 -1 12 Na 12 DC O4' 12 0 13 C 13 DC C2' 13 0 14 Na 14 DC C2 14 0 15 Nd 15 DC C4 15 0 16 Qa 16 DG P 16 -1 17 Na 17 DG O4' 17 0 18 C 18 DG C2' 18 0 19 Na 19 DG C8 19 0 20 Nda 20 DG C6 20 0 21 Nda 21 DG C2 21 0 22 Qa 22 DA P 22 -1 23 Na 23 DA O4' 23 0 24 C 24 DA C2' 24 0 25 Na 25 DA C8 25 0 26 Nda 26 DA C6 26 0 27 Na 27 DA N3 27 0 28 Qa 28 DA P 28 -1 29 Na 29 DA O4' 29 0 30 C 30 DA C2' 30 0 31 Na 31 DA C8 31 0 32 Nda 32 DA C6 32 0 33 Na 33 DA N3 33 0 34 Qa 34 DT P 34 -1 35 Na 35 DT O4' 35 0 36 C 36 DT C2' 36 0 37 Nda 37 DT C2 37 0 38 Na 38 DT C5 38 0 39 Qa 39 DT P 39 -1 40 Na 40 DT O4' 40 0 41 C 41 DT C2' 41 0 42 Nda 42 DT C2 42 0 43 Na 43 DT C5 43 0 44 Qa 44 DC P 44 -1 45 Na 45 DC O4' 45 0 46 C 46 DC C2' 46 0 47 Na 47 DC C2 47 0 48 Nd 48 DC C4 48 0 49 Qa 49 DG P 49 -1 50 Na 50 DG O4' 50 0 51 C 51 DG C2' 51 0 52 Na 52 DG C8 52 0 53 Nda 53 DG C6 53 0 54 Nda 54 DG C2 54 0 55 Qa 55 DC P 55 -1 56 Na 56 DC O4' 56 0 57 C 57 DC C2' 57 0 58 Na 58 DC C2 58 0 59 Nd 59 DC C4 59 0 60 Qa 60 DG P 60 -1 61 Na 61 DG O4' 61 0 62 C 62 DG C2' 62 0 63 Na 63 DG C8 63 0 64 Nda 64 DG C6 64 0 65 Nda 65 DG C2 65 0 66 Na 66 DC O4' 66 0 67 C 67 DC C2' 67 0 68 Na 68 DC C2 68 0 69 Nd 69 DC C4 69 0 70 Qa 70 DG P 70 -1 71 Na 71 DG O4' 71 0 72 C 72 DG C2' 72 0 73 Na 73 DG C8 73 0 74 Nda 74 DG C6 74 0 75 Nda 75 DG C2 75 0 76 Qa 76 DC P 76 -1 77 Na 77 DC O4' 77 0 78 C 78 DC C2' 78 0 79 Na 79 DC C2 79 0 80 Nd 80 DC C4 80 0 81 Qa 81 DG P 81 -1 82 Na 82 DG O4' 82 0 83 C 83 DG C2' 83 0 84 Na 84 DG C8 84 0 85 Nda 85 DG C6 85 0 86 Nda 86 DG C2 86 0 87 Qa 87 DA P 87 -1 88 Na 88 DA O4' 88 0 89 C 89 DA C2' 89 0 90 Na 90 DA C8 90 0 91 Nda 91 DA C6 91 0 92 Na 92 DA N3 92 0 93 Qa 93 DA P 93 -1 94 Na 94 DA O4' 94 0 95 C 95 DA C2' 95 0 96 Na 96 DA C8 96 0 97 Nda 97 DA C6 97 0 98 Na 98 DA N3 98 0 99 Qa 99 DT P 99 -1 100 Na 100 DT O4' 100 0 101 C 101 DT C2' 101 0 102 Nda 102 DT C2 102 0 103 Na 103 DT C5 103 0 104 Qa 104 DT P 104 -1 105 Na 105 DT O4' 105 0 106 C 106 DT C2' 106 0 107 Nda 107 DT C2 107 0 108 Na 108 DT C5 108 0 109 Qa 109 DC P 109 -1 110 Na 110 DC O4' 110 0 111 C 111 DC C2' 111 0 112 Na 112 DC C2 112 0 113 Nd 113 DC C4 113 0 114 Qa 114 DG P 114 -1 115 Na 115 DG O4' 115 0 116 C 116 DG C2' 116 0 117 Na 117 DG C8 117 0 118 Nda 118 DG C6 118 0 119 Nda 119 DG C2 119 0 120 Qa 120 DC P 120 -1 121 Na 121 DC O4' 121 0 122 C 122 DC C2' 122 0 123 Na 123 DC C2 123 0 124 Nd 124 DC C4 124 0 125 Qa 125 DG P 125 -1 126 Na 126 DG O4' 126 0 127 C 127 DG C2' 127 0 128 Na 128 DG C8 128 0 129 Nda 129 DG C6 129 0 130 Nda 130 DG C2 130 0 ; In this DNA model, an elastic network is defined to stabilize the ; secondary structure. ; ; Note, in the papers a force constant of 1500 is mentioned, this ; is wrong and should be 15000. 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