Thursday, September 26 2024 23:43:14
UNRES
0.86s
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CTEST_FULL_OUTPUT JESTEM T -1155379312 1 T -1155379312 7 T -1155379312 8 T -1155379312 13 T -1155379312 14 T -1155379312 20 T -1155379312 21 T -1155379312 25 T -1155379312 30 T -1155379312 32 T -1155379312 38 T -1155379312 39 T -1155379312 48 T -1155379312 49 T -1155379312 68 T -1155379312 69 T -1155379312 71 T -1155379312 72 T -1155379312 74 T -1155379312 85 T -1155379312 86 T -1155379312 87 T -1155379312 93 T -1155379312 105 T -1155379312 107 T -1155379312 112 T -1155379312 113 T -1155379312 114 T -1155379312 133 T -1155379312 137 T -1155379312 138 T -1155379312 140 T -1155379312 145 T -1155379312 155 T -1155379312 158 T -1155379312 162 T -1155379312 170 T -1155379312 172 T -1155379312 176 T -1155379312 177 T -1155379312 2 T -1155379312 3 T -1155379312 5 T -1155379312 10 T -1155379312 18 T -1155379312 27 T -1155379312 31 T -1155379312 35 T -1155379312 36 T -1155379312 37 T -1155379312 41 T -1155379312 47 T -1155379312 51 T -1155379312 53 T -1155379312 61 T -1155379312 70 T -1155379312 75 T -1155379312 77 T -1155379312 79 T -1155379312 84 T -1155379312 89 T -1155379312 92 T -1155379312 94 T -1155379312 96 T -1155379312 98 T -1155379312 99 T -1155379312 119 T -1155379312 121 T -1155379312 125 T -1155379312 129 T -1155379312 130 T -1155379312 136 T -1155379312 142 T -1155379312 149 T -1155379312 150 T -1155379312 152 T -1155379312 153 T -1155379312 161 T -1155379312 165 T -1155379312 166 T -1155379312 171 T -1155379312 174 T -1155379312 179 T -1155379312 181 T -1155379312 183 T -1155379312 184 T -1155379312 186 T -1155379312 4 T -1155379312 11 T -1155379312 12 T -1155379312 15 T -1155379312 16 T -1155379312 17 T -1155379312 19 T -1155379312 22 T -1155379312 24 T -1155379312 26 T -1155379312 45 T -1155379312 46 T -1155379312 50 T -1155379312 55 T -1155379312 62 T -1155379312 64 T -1155379312 65 T -1155379312 67 T -1155379312 73 T -1155379312 76 T -1155379312 81 T -1155379312 82 T -1155379312 83 T -1155379312 88 T -1155379312 91 T -1155379312 97 T -1155379312 100 T -1155379312 101 T -1155379312 103 T -1155379312 104 T -1155379312 108 T -1155379312 110 T -1155379312 115 T -1155379312 117 T -1155379312 120 T -1155379312 122 T -1155379312 123 T -1155379312 124 T -1155379312 127 T -1155379312 132 T -1155379312 134 T -1155379312 135 T -1155379312 141 T -1155379312 144 T -1155379312 148 T -1155379312 151 T -1155379312 154 T -1155379312 157 T -1155379312 160 T -1155379312 163 T -1155379312 164 T -1155379312 173 T -1155379312 175 T -1155379312 178 T -1155379312 180 T -1155379312 6 T -1155379312 23 T -1155379312 29 T -1155379312 33 T -1155379312 34 T -1155379312 40 T -1155379312 43 T -1155379312 44 T -1155379312 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1155379312 54 T -1155379312 56 T -1155379312 57 T -1155379312 58 T -1155379312 59 T -1155379312 60 T -1155379312 66 T -1155379312 78 T -1155379312 80 T -1155379312 90 T -1155379312 95 T -1155379312 102 T -1155379312 111 T -1155379312 116 T -1155379312 118 T -1155379312 126 T -1155379312 131 T -1155379312 143 T -1155379312 159 T -1155379312 168 T -1155379312 169 T -1155379312 182 T -1155379312 185 T -1155379312 9 T -1155379312 28 T -1155379312 42 T -1155379312 63 T -1155379312 106 T -1155379312 109 T -1155379312 128 T -1155379312 139 T -1155379312 146 T -1155379312 147 T -1155379312 156 T -1155379312 167 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 2.17826E+00 AVE RMSD 5.19 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 2.31768E+00 RMS 4.98 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 2.75678E+00 AVE RMSD 4.24 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 3.47622E+00 RMS 4.29 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 2.89081E+00 AVE RMSD 3.75 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 3.64948E+00 RMS 4.52 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 3.32555E+00 AVE RMSD 3.70 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 3.77348E+00 RMS 4.06 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 3.78099E+00 AVE RMSD 4.90 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 4.01676E+00 RMS 4.79
