Wednesday, September 25 2024 21:29:14
UNRES
1.01s
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CTEST_FULL_OUTPUT JESTEM T -859827168 1 T -859827168 7 T -859827168 8 T -859827168 13 T -859827168 14 T -859827168 20 T -859827168 21 T -859827168 25 T -859827168 30 T -859827168 32 T -859827168 38 T -859827168 39 T -859827168 48 T -859827168 49 T -859827168 68 T -859827168 69 T -859827168 71 T -859827168 72 T -859827168 74 T -859827168 85 T -859827168 86 T -859827168 87 T -859827168 93 T -859827168 105 T -859827168 107 T -859827168 112 T -859827168 113 T -859827168 114 T -859827168 133 T -859827168 137 T -859827168 138 T -859827168 140 T -859827168 145 T -859827168 155 T -859827168 158 T -859827168 162 T -859827168 170 T -859827168 172 T -859827168 176 T -859827168 177 T -859827168 2 T -859827168 3 T -859827168 5 T -859827168 10 T -859827168 18 T -859827168 27 T -859827168 31 T -859827168 35 T -859827168 36 T -859827168 37 T -859827168 41 T -859827168 47 T -859827168 51 T -859827168 53 T -859827168 61 T -859827168 70 T -859827168 75 T -859827168 77 T -859827168 79 T -859827168 84 T -859827168 89 T -859827168 92 T -859827168 94 T -859827168 96 T -859827168 98 T -859827168 99 T -859827168 119 T -859827168 121 T -859827168 125 T -859827168 129 T -859827168 130 T -859827168 136 T -859827168 142 T -859827168 149 T -859827168 150 T -859827168 152 T -859827168 153 T -859827168 161 T -859827168 165 T -859827168 166 T -859827168 171 T -859827168 174 T -859827168 179 T -859827168 181 T -859827168 183 T -859827168 184 T -859827168 186 T -859827168 4 T -859827168 11 T -859827168 12 T -859827168 15 T -859827168 16 T -859827168 17 T -859827168 19 T -859827168 22 T -859827168 24 T -859827168 26 T -859827168 45 T -859827168 46 T -859827168 50 T -859827168 55 T -859827168 62 T -859827168 64 T -859827168 65 T -859827168 67 T -859827168 73 T -859827168 76 T -859827168 81 T -859827168 82 T -859827168 83 T -859827168 88 T -859827168 91 T -859827168 97 T -859827168 100 T -859827168 101 T -859827168 103 T -859827168 104 T -859827168 108 T -859827168 110 T -859827168 115 T -859827168 117 T -859827168 120 T -859827168 122 T -859827168 123 T -859827168 124 T -859827168 127 T -859827168 132 T -859827168 134 T -859827168 135 T -859827168 141 T -859827168 144 T -859827168 148 T -859827168 151 T -859827168 154 T -859827168 157 T -859827168 160 T -859827168 163 T -859827168 164 T -859827168 173 T -859827168 175 T -859827168 178 T -859827168 180 T -859827168 6 T -859827168 23 T -859827168 29 T -859827168 33 T -859827168 34 T -859827168 40 T -859827168 43 T -859827168 44 T -859827168 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -859827168 54 T -859827168 56 T -859827168 57 T -859827168 58 T -859827168 59 T -859827168 60 T -859827168 66 T -859827168 78 T -859827168 80 T -859827168 90 T -859827168 95 T -859827168 102 T -859827168 111 T -859827168 116 T -859827168 118 T -859827168 126 T -859827168 131 T -859827168 143 T -859827168 159 T -859827168 168 T -859827168 169 T -859827168 182 T -859827168 185 T -859827168 9 T -859827168 28 T -859827168 42 T -859827168 63 T -859827168 106 T -859827168 109 T -859827168 128 T -859827168 139 T -859827168 146 T -859827168 147 T -859827168 156 T -859827168 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
