Friday, September 20 2024 10:35:46
UNRES
3.97s
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CTEST_FULL_OUTPUT ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! T 1706343584 1 T 1706343584 2 T 1706343584 3 T 1706343584 4 T 1706343584 5 T 1706343584 6 T 1706343584 11 T 1706343584 12 T 1706343584 13 T 1706343584 16 T 1706343584 21 T 1706343584 22 T 1706343584 23 T 1706343584 25 T 1706343584 26 T 1706343584 28 T 1706343584 30 T 1706343584 37 T 1706343584 39 T 1706343584 42 T 1706343584 43 T 1706343584 44 T 1706343584 46 T 1706343584 47 T 1706343584 50 T 1706343584 62 T 1706343584 64 T 1706343584 65 T 1706343584 66 T 1706343584 69 T 1706343584 73 T 1706343584 74 T 1706343584 76 T 1706343584 77 T 1706343584 78 T 1706343584 81 T 1706343584 85 T 1706343584 86 T 1706343584 88 T 1706343584 89 T 1706343584 92 T 1706343584 94 T 1706343584 97 T 1706343584 98 T 1706343584 100 T 1706343584 104 T 1706343584 105 T 1706343584 106 T 1706343584 115 T 1706343584 116 T 1706343584 121 T 1706343584 123 T 1706343584 128 T 1706343584 129 T 1706343584 130 T 1706343584 138 T 1706343584 139 T 1706343584 145 T 1706343584 146 T 1706343584 148 T 1706343584 152 T 1706343584 153 T 1706343584 157 T 1706343584 167 T 1706343584 168 T 1706343584 169 T 1706343584 175 T 1706343584 180 T 1706343584 181 T 1706343584 183 T 1706343584 187 T 1706343584 190 T 1706343584 193 T 1706343584 194 T 1706343584 198 T 1706343584 200 T 1706343584 7 T 1706343584 8 T 1706343584 9 T 1706343584 10 T 1706343584 14 T 1706343584 15 T 1706343584 18 T 1706343584 24 T 1706343584 27 T 1706343584 29 T 1706343584 31 T 1706343584 33 T 1706343584 36 T 1706343584 38 T 1706343584 41 T 1706343584 45 T 1706343584 48 T 1706343584 49 T 1706343584 51 T 1706343584 52 T 1706343584 53 T 1706343584 55 T 1706343584 57 T 1706343584 60 T 1706343584 63 T 1706343584 82 T 1706343584 83 T 1706343584 84 T 1706343584 91 T 1706343584 93 T 1706343584 95 T 1706343584 96 T 1706343584 99 T 1706343584 107 T 1706343584 108 T 1706343584 110 T 1706343584 112 T 1706343584 113 T 1706343584 120 T 1706343584 122 T 1706343584 126 T 1706343584 127 T 1706343584 132 T 1706343584 143 T 1706343584 150 T 1706343584 155 T 1706343584 17 T 1706343584 20 T 1706343584 32 T 1706343584 34 T 1706343584 35 T 1706343584 40 T 1706343584 54 T 1706343584 58 T 1706343584 59 T 1706343584 67 T 1706343584 68 T 1706343584 70 T 1706343584 71 T 1706343584 72 T 1706343584 75 T 1706343584 79 T 1706343584 80 T 1706343584 87 T 1706343584 90 T 1706343584 101 T 1706343584 102 T 1706343584 103 T 1706343584 109 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1706343584 114 T 1706343584 117 T 1706343584 118 T 1706343584 119 T 1706343584 124 T 1706343584 125 T 1706343584 131 T 1706343584 134 T 1706343584 135 T 1706343584 136 T 1706343584 137 T 1706343584 140 T 1706343584 149 T 1706343584 160 T 1706343584 161 T 1706343584 163 T 1706343584 165 T 1706343584 166 T 1706343584 174 T 1706343584 176 T 1706343584 177 T 1706343584 179 T 1706343584 182 T 1706343584 184 T 1706343584 185 T 1706343584 188 T 1706343584 195 T 1706343584 19 T 1706343584 56 T 1706343584 61 T 1706343584 111 T 1706343584 133 T 1706343584 141 T 1706343584 142 T 1706343584 144 T 1706343584 147 T 1706343584 151 T 1706343584 156 T 1706343584 158 T 1706343584 162 T 1706343584 164 T 1706343584 170 T 1706343584 171 T 1706343584 172 T 1706343584 173 T 1706343584 178 T 1706343584 189 T 1706343584 191 T 1706343584 192 T 1706343584 196 T 1706343584 197 T 1706343584 199 T 1706343584 201 T 1706343584 202 T 1706343584 204 T 1706343584 154 T 1706343584 159 T 1706343584 186 T 1706343584 203 THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -5.19720E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -5.17615E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -5.19550E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -5.17612E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -5.19353E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -5.17609E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -5.18599E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -5.17608E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -5.17076E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -5.16622E+02 RMS 0.00
