Friday, September 27 2024 17:24:26
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CTEST_FULL_OUTPUT JESTEM T -1604081744 1 T -1604081744 7 T -1604081744 8 T -1604081744 13 T -1604081744 14 T -1604081744 20 T -1604081744 21 T -1604081744 25 T -1604081744 30 T -1604081744 32 T -1604081744 38 T -1604081744 39 T -1604081744 48 T -1604081744 49 T -1604081744 68 T -1604081744 69 T -1604081744 71 T -1604081744 72 T -1604081744 74 T -1604081744 85 T -1604081744 86 T -1604081744 87 T -1604081744 93 T -1604081744 105 T -1604081744 107 T -1604081744 112 T -1604081744 113 T -1604081744 114 T -1604081744 133 T -1604081744 137 T -1604081744 138 T -1604081744 140 T -1604081744 145 T -1604081744 155 T -1604081744 158 T -1604081744 162 T -1604081744 170 T -1604081744 172 T -1604081744 176 T -1604081744 177 T -1604081744 2 T -1604081744 3 T -1604081744 5 T -1604081744 10 T -1604081744 18 T -1604081744 27 T -1604081744 31 T -1604081744 35 T -1604081744 36 T -1604081744 37 T -1604081744 41 T -1604081744 47 T -1604081744 51 T -1604081744 53 T -1604081744 61 T -1604081744 70 T -1604081744 75 T -1604081744 77 T -1604081744 79 T -1604081744 84 T -1604081744 89 T -1604081744 92 T -1604081744 94 T -1604081744 96 T -1604081744 98 T -1604081744 99 T -1604081744 119 T -1604081744 121 T -1604081744 125 T -1604081744 129 T -1604081744 130 T -1604081744 136 T -1604081744 142 T -1604081744 149 T -1604081744 150 T -1604081744 152 T -1604081744 153 T -1604081744 161 T -1604081744 165 T -1604081744 166 T -1604081744 171 T -1604081744 174 T -1604081744 179 T -1604081744 181 T -1604081744 183 T -1604081744 184 T -1604081744 186 T -1604081744 4 T -1604081744 11 T -1604081744 12 T -1604081744 15 T -1604081744 16 T -1604081744 17 T -1604081744 19 T -1604081744 22 T -1604081744 24 T -1604081744 26 T -1604081744 45 T -1604081744 46 T -1604081744 50 T -1604081744 55 T -1604081744 62 T -1604081744 64 T -1604081744 65 T -1604081744 67 T -1604081744 73 T -1604081744 76 T -1604081744 81 T -1604081744 82 T -1604081744 83 T -1604081744 88 T -1604081744 91 T -1604081744 97 T -1604081744 100 T -1604081744 101 T -1604081744 103 T -1604081744 104 T -1604081744 108 T -1604081744 110 T -1604081744 115 T -1604081744 117 T -1604081744 120 T -1604081744 122 T -1604081744 123 T -1604081744 124 T -1604081744 127 T -1604081744 132 T -1604081744 134 T -1604081744 135 T -1604081744 141 T -1604081744 144 T -1604081744 148 T -1604081744 151 T -1604081744 154 T -1604081744 157 T -1604081744 160 T -1604081744 163 T -1604081744 164 T -1604081744 173 T -1604081744 175 T -1604081744 178 T -1604081744 180 T -1604081744 6 T -1604081744 23 T -1604081744 29 T -1604081744 33 T -1604081744 34 T -1604081744 40 T -1604081744 43 T -1604081744 44 T -1604081744 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1604081744 54 T -1604081744 56 T -1604081744 57 T -1604081744 58 T -1604081744 59 T -1604081744 60 T -1604081744 66 T -1604081744 78 T -1604081744 80 T -1604081744 90 T -1604081744 95 T -1604081744 102 T -1604081744 111 T -1604081744 116 T -1604081744 118 T -1604081744 126 T -1604081744 131 T -1604081744 143 T -1604081744 159 T -1604081744 168 T -1604081744 169 T -1604081744 182 T -1604081744 185 T -1604081744 9 T -1604081744 28 T -1604081744 42 T -1604081744 63 T -1604081744 106 T -1604081744 109 T -1604081744 128 T -1604081744 139 T -1604081744 146 T -1604081744 147 T -1604081744 156 T -1604081744 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
