Thursday, September 26 2024 23:46:42
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CTEST_FULL_OUTPUT JESTEM T 199967088 1 T 199967088 7 T 199967088 8 T 199967088 13 T 199967088 14 T 199967088 20 T 199967088 21 T 199967088 25 T 199967088 30 T 199967088 32 T 199967088 38 T 199967088 39 T 199967088 48 T 199967088 49 T 199967088 68 T 199967088 69 T 199967088 71 T 199967088 72 T 199967088 74 T 199967088 85 T 199967088 86 T 199967088 87 T 199967088 93 T 199967088 105 T 199967088 107 T 199967088 112 T 199967088 113 T 199967088 114 T 199967088 133 T 199967088 137 T 199967088 138 T 199967088 140 T 199967088 145 T 199967088 155 T 199967088 158 T 199967088 162 T 199967088 170 T 199967088 172 T 199967088 176 T 199967088 177 T 199967088 2 T 199967088 3 T 199967088 5 T 199967088 10 T 199967088 18 T 199967088 27 T 199967088 31 T 199967088 35 T 199967088 36 T 199967088 37 T 199967088 41 T 199967088 47 T 199967088 51 T 199967088 53 T 199967088 61 T 199967088 70 T 199967088 75 T 199967088 77 T 199967088 79 T 199967088 84 T 199967088 89 T 199967088 92 T 199967088 94 T 199967088 96 T 199967088 98 T 199967088 99 T 199967088 119 T 199967088 121 T 199967088 125 T 199967088 129 T 199967088 130 T 199967088 136 T 199967088 142 T 199967088 149 T 199967088 150 T 199967088 152 T 199967088 153 T 199967088 161 T 199967088 165 T 199967088 166 T 199967088 171 T 199967088 174 T 199967088 179 T 199967088 181 T 199967088 183 T 199967088 184 T 199967088 186 T 199967088 4 T 199967088 11 T 199967088 12 T 199967088 15 T 199967088 16 T 199967088 17 T 199967088 19 T 199967088 22 T 199967088 24 T 199967088 26 T 199967088 45 T 199967088 46 T 199967088 50 T 199967088 55 T 199967088 62 T 199967088 64 T 199967088 65 T 199967088 67 T 199967088 73 T 199967088 76 T 199967088 81 T 199967088 82 T 199967088 83 T 199967088 88 T 199967088 91 T 199967088 97 T 199967088 100 T 199967088 101 T 199967088 103 T 199967088 104 T 199967088 108 T 199967088 110 T 199967088 115 T 199967088 117 T 199967088 120 T 199967088 122 T 199967088 123 T 199967088 124 T 199967088 127 T 199967088 132 T 199967088 134 T 199967088 135 T 199967088 141 T 199967088 144 T 199967088 148 T 199967088 151 T 199967088 154 T 199967088 157 T 199967088 160 T 199967088 163 T 199967088 164 T 199967088 173 T 199967088 175 T 199967088 178 T 199967088 180 T 199967088 6 T 199967088 23 T 199967088 29 T 199967088 33 T 199967088 34 T 199967088 40 T 199967088 43 T 199967088 44 T 199967088 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 199967088 54 T 199967088 56 T 199967088 57 T 199967088 58 T 199967088 59 T 199967088 60 T 199967088 66 T 199967088 78 T 199967088 80 T 199967088 90 T 199967088 95 T 199967088 102 T 199967088 111 T 199967088 116 T 199967088 118 T 199967088 126 T 199967088 131 T 199967088 143 T 199967088 159 T 199967088 168 T 199967088 169 T 199967088 182 T 199967088 185 T 199967088 9 T 199967088 28 T 199967088 42 T 199967088 63 T 199967088 106 T 199967088 109 T 199967088 128 T 199967088 139 T 199967088 146 T 199967088 147 T 199967088 156 T 199967088 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
