Friday, September 27 2024 03:24:19
UNRES
2.43s
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CTEST_FULL_OUTPUT JESTEM T -1553168512 1 T -1553168512 7 T -1553168512 8 T -1553168512 13 T -1553168512 14 T -1553168512 20 T -1553168512 21 T -1553168512 25 T -1553168512 30 T -1553168512 32 T -1553168512 38 T -1553168512 39 T -1553168512 48 T -1553168512 49 T -1553168512 68 T -1553168512 69 T -1553168512 71 T -1553168512 72 T -1553168512 74 T -1553168512 85 T -1553168512 86 T -1553168512 87 T -1553168512 93 T -1553168512 105 T -1553168512 107 T -1553168512 112 T -1553168512 113 T -1553168512 114 T -1553168512 133 T -1553168512 137 T -1553168512 138 T -1553168512 140 T -1553168512 145 T -1553168512 155 T -1553168512 158 T -1553168512 162 T -1553168512 170 T -1553168512 172 T -1553168512 176 T -1553168512 177 T -1553168512 2 T -1553168512 3 T -1553168512 5 T -1553168512 10 T -1553168512 18 T -1553168512 27 T -1553168512 31 T -1553168512 35 T -1553168512 36 T -1553168512 37 T -1553168512 41 T -1553168512 47 T -1553168512 51 T -1553168512 53 T -1553168512 61 T -1553168512 70 T -1553168512 75 T -1553168512 77 T -1553168512 79 T -1553168512 84 T -1553168512 89 T -1553168512 92 T -1553168512 94 T -1553168512 96 T -1553168512 98 T -1553168512 99 T -1553168512 119 T -1553168512 121 T -1553168512 125 T -1553168512 129 T -1553168512 130 T -1553168512 136 T -1553168512 142 T -1553168512 149 T -1553168512 150 T -1553168512 152 T -1553168512 153 T -1553168512 161 T -1553168512 165 T -1553168512 166 T -1553168512 171 T -1553168512 174 T -1553168512 179 T -1553168512 181 T -1553168512 183 T -1553168512 184 T -1553168512 186 T -1553168512 4 T -1553168512 11 T -1553168512 12 T -1553168512 15 T -1553168512 16 T -1553168512 17 T -1553168512 19 T -1553168512 22 T -1553168512 24 T -1553168512 26 T -1553168512 45 T -1553168512 46 T -1553168512 50 T -1553168512 55 T -1553168512 62 T -1553168512 64 T -1553168512 65 T -1553168512 67 T -1553168512 73 T -1553168512 76 T -1553168512 81 T -1553168512 82 T -1553168512 83 T -1553168512 88 T -1553168512 91 T -1553168512 97 T -1553168512 100 T -1553168512 101 T -1553168512 103 T -1553168512 104 T -1553168512 108 T -1553168512 110 T -1553168512 115 T -1553168512 117 T -1553168512 120 T -1553168512 122 T -1553168512 123 T -1553168512 124 T -1553168512 127 T -1553168512 132 T -1553168512 134 T -1553168512 135 T -1553168512 141 T -1553168512 144 T -1553168512 148 T -1553168512 151 T -1553168512 154 T -1553168512 157 T -1553168512 160 T -1553168512 163 T -1553168512 164 T -1553168512 173 T -1553168512 175 T -1553168512 178 T -1553168512 180 T -1553168512 6 T -1553168512 23 T -1553168512 29 T -1553168512 33 T -1553168512 34 T -1553168512 40 T -1553168512 43 T -1553168512 44 T -1553168512 52 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1553168512 54 T -1553168512 56 T -1553168512 57 T -1553168512 58 T -1553168512 59 T -1553168512 60 T -1553168512 66 T -1553168512 78 T -1553168512 80 T -1553168512 90 T -1553168512 95 T -1553168512 102 T -1553168512 111 T -1553168512 116 T -1553168512 118 T -1553168512 126 T -1553168512 131 T -1553168512 143 T -1553168512 159 T -1553168512 168 T -1553168512 169 T -1553168512 182 T -1553168512 185 T -1553168512 9 T -1553168512 28 T -1553168512 42 T -1553168512 63 T -1553168512 106 T -1553168512 109 T -1553168512 128 T -1553168512 139 T -1553168512 146 T -1553168512 147 T -1553168512 156 T -1553168512 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
