Friday, September 27 2024 11:22:57
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CTEST_FULL_OUTPUT JESTEM T -1059139152 1 T -1059139152 7 T -1059139152 8 T -1059139152 13 T -1059139152 14 T -1059139152 20 T -1059139152 21 T -1059139152 25 T -1059139152 30 T -1059139152 32 T -1059139152 38 T -1059139152 39 T -1059139152 48 T -1059139152 49 T -1059139152 68 T -1059139152 69 T -1059139152 71 T -1059139152 72 T -1059139152 74 T -1059139152 85 T -1059139152 86 T -1059139152 87 T -1059139152 93 T -1059139152 105 T -1059139152 107 T -1059139152 112 T -1059139152 113 T -1059139152 114 T -1059139152 133 T -1059139152 137 T -1059139152 138 T -1059139152 140 T -1059139152 145 T -1059139152 155 T -1059139152 158 T -1059139152 162 T -1059139152 170 T -1059139152 172 T -1059139152 176 T -1059139152 177 T -1059139152 2 T -1059139152 3 T -1059139152 5 T -1059139152 10 T -1059139152 18 T -1059139152 27 T -1059139152 31 T -1059139152 35 T -1059139152 36 T -1059139152 37 T -1059139152 41 T -1059139152 47 T -1059139152 51 T -1059139152 53 T -1059139152 61 T -1059139152 70 T -1059139152 75 T -1059139152 77 T -1059139152 79 T -1059139152 84 T -1059139152 89 T -1059139152 92 T -1059139152 94 T -1059139152 96 T -1059139152 98 T -1059139152 99 T -1059139152 119 T -1059139152 121 T -1059139152 125 T -1059139152 129 T -1059139152 130 T -1059139152 136 T -1059139152 142 T -1059139152 149 T -1059139152 150 T -1059139152 152 T -1059139152 153 T -1059139152 161 T -1059139152 165 T -1059139152 166 T -1059139152 171 T -1059139152 174 T -1059139152 179 T -1059139152 181 T -1059139152 183 T -1059139152 184 T -1059139152 186 T -1059139152 4 T -1059139152 11 T -1059139152 12 T -1059139152 15 T -1059139152 16 T -1059139152 17 T -1059139152 19 T -1059139152 22 T -1059139152 24 T -1059139152 26 T -1059139152 45 T -1059139152 46 T -1059139152 50 T -1059139152 55 T -1059139152 62 T -1059139152 64 T -1059139152 65 T -1059139152 67 T -1059139152 73 T -1059139152 76 T -1059139152 81 T -1059139152 82 T -1059139152 83 T -1059139152 88 T -1059139152 91 T -1059139152 97 T -1059139152 100 T -1059139152 101 T -1059139152 103 T -1059139152 104 T -1059139152 108 T -1059139152 110 T -1059139152 115 T -1059139152 117 T -1059139152 120 T -1059139152 122 T -1059139152 123 T -1059139152 124 T -1059139152 127 T -1059139152 132 T -1059139152 134 T -1059139152 135 T -1059139152 141 T -1059139152 144 T -1059139152 148 T -1059139152 151 T -1059139152 154 T -1059139152 157 T -1059139152 160 T -1059139152 163 T -1059139152 164 T -1059139152 173 T -1059139152 175 T -1059139152 178 T -1059139152 180 T -1059139152 6 T -1059139152 23 T -1059139152 29 T -1059139152 33 T -1059139152 34 T -1059139152 40 T -1059139152 43 T -1059139152 44 T -1059139152 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1059139152 54 T -1059139152 56 T -1059139152 57 T -1059139152 58 T -1059139152 59 T -1059139152 60 T -1059139152 66 T -1059139152 78 T -1059139152 80 T -1059139152 90 T -1059139152 95 T -1059139152 102 T -1059139152 111 T -1059139152 116 T -1059139152 118 T -1059139152 126 T -1059139152 131 T -1059139152 143 T -1059139152 159 T -1059139152 168 T -1059139152 169 T -1059139152 182 T -1059139152 185 T -1059139152 9 T -1059139152 28 T -1059139152 42 T -1059139152 63 T -1059139152 106 T -1059139152 109 T -1059139152 128 T -1059139152 139 T -1059139152 146 T -1059139152 147 T -1059139152 156 T -1059139152 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
