Friday, September 27 2024 17:22:13
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CTEST_FULL_OUTPUT JESTEM T -390377584 1 T -390377584 7 T -390377584 8 T -390377584 13 T -390377584 14 T -390377584 20 T -390377584 21 T -390377584 25 T -390377584 30 T -390377584 32 T -390377584 38 T -390377584 39 T -390377584 48 T -390377584 49 T -390377584 68 T -390377584 69 T -390377584 71 T -390377584 72 T -390377584 74 T -390377584 85 T -390377584 86 T -390377584 87 T -390377584 93 T -390377584 105 T -390377584 107 T -390377584 112 T -390377584 113 T -390377584 114 T -390377584 133 T -390377584 137 T -390377584 138 T -390377584 140 T -390377584 145 T -390377584 155 T -390377584 158 T -390377584 162 T -390377584 170 T -390377584 172 T -390377584 176 T -390377584 177 T -390377584 2 T -390377584 3 T -390377584 5 T -390377584 10 T -390377584 18 T -390377584 27 T -390377584 31 T -390377584 35 T -390377584 36 T -390377584 37 T -390377584 41 T -390377584 47 T -390377584 51 T -390377584 53 T -390377584 61 T -390377584 70 T -390377584 75 T -390377584 77 T -390377584 79 T -390377584 84 T -390377584 89 T -390377584 92 T -390377584 94 T -390377584 96 T -390377584 98 T -390377584 99 T -390377584 119 T -390377584 121 T -390377584 125 T -390377584 129 T -390377584 130 T -390377584 136 T -390377584 142 T -390377584 149 T -390377584 150 T -390377584 152 T -390377584 153 T -390377584 161 T -390377584 165 T -390377584 166 T -390377584 171 T -390377584 174 T -390377584 179 T -390377584 181 T -390377584 183 T -390377584 184 T -390377584 186 T -390377584 4 T -390377584 11 T -390377584 12 T -390377584 15 T -390377584 16 T -390377584 17 T -390377584 19 T -390377584 22 T -390377584 24 T -390377584 26 T -390377584 45 T -390377584 46 T -390377584 50 T -390377584 55 T -390377584 62 T -390377584 64 T -390377584 65 T -390377584 67 T -390377584 73 T -390377584 76 T -390377584 81 T -390377584 82 T -390377584 83 T -390377584 88 T -390377584 91 T -390377584 97 T -390377584 100 T -390377584 101 T -390377584 103 T -390377584 104 T -390377584 108 T -390377584 110 T -390377584 115 T -390377584 117 T -390377584 120 T -390377584 122 T -390377584 123 T -390377584 124 T -390377584 127 T -390377584 132 T -390377584 134 T -390377584 135 T -390377584 141 T -390377584 144 T -390377584 148 T -390377584 151 T -390377584 154 T -390377584 157 T -390377584 160 T -390377584 163 T -390377584 164 T -390377584 173 T -390377584 175 T -390377584 178 T -390377584 180 T -390377584 6 T -390377584 23 T -390377584 29 T -390377584 33 T -390377584 34 T -390377584 40 T -390377584 43 T -390377584 44 T -390377584 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -390377584 54 T -390377584 56 T -390377584 57 T -390377584 58 T -390377584 59 T -390377584 60 T -390377584 66 T -390377584 78 T -390377584 80 T -390377584 90 T -390377584 95 T -390377584 102 T -390377584 111 T -390377584 116 T -390377584 118 T -390377584 126 T -390377584 131 T -390377584 143 T -390377584 159 T -390377584 168 T -390377584 169 T -390377584 182 T -390377584 185 T -390377584 9 T -390377584 28 T -390377584 42 T -390377584 63 T -390377584 106 T -390377584 109 T -390377584 128 T -390377584 139 T -390377584 146 T -390377584 147 T -390377584 156 T -390377584 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
