Wednesday, September 25 2024 22:18:49
UNRES
6.30s
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CTEST_FULL_OUTPUT ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! T 690401728 1 T 690401728 4 T 690401728 6 T 690401728 19 T 690401728 23 T 690401728 24 T 690401728 29 T 690401728 33 T 690401728 34 T 690401728 37 T 690401728 38 T 690401728 39 T 690401728 44 T 690401728 55 T 690401728 74 T 690401728 77 T 690401728 84 T 690401728 85 T 690401728 86 T 690401728 87 T 690401728 90 T 690401728 98 T 690401728 102 T 690401728 104 T 690401728 109 T 690401728 115 T 690401728 126 T 690401728 127 T 690401728 131 T 690401728 132 T 690401728 136 T 690401728 140 T 690401728 149 T 690401728 158 T 690401728 160 T 690401728 168 T 690401728 172 T 690401728 175 T 690401728 177 T 690401728 180 T 690401728 182 T 690401728 185 T 690401728 195 T 690401728 197 T 690401728 198 T 690401728 200 T 690401728 204 T 690401728 209 T 690401728 210 T 690401728 213 T 690401728 214 T 690401728 216 T 690401728 217 T 690401728 221 T 690401728 224 T 690401728 234 T 690401728 235 T 690401728 239 T 690401728 251 T 690401728 253 T 690401728 255 T 690401728 2 T 690401728 3 T 690401728 11 T 690401728 13 T 690401728 15 T 690401728 16 T 690401728 17 T 690401728 25 T 690401728 30 T 690401728 42 T 690401728 62 T 690401728 63 T 690401728 65 T 690401728 73 T 690401728 75 T 690401728 80 T 690401728 93 T 690401728 96 T 690401728 119 T 690401728 120 T 690401728 123 T 690401728 128 T 690401728 129 T 690401728 130 T 690401728 133 T 690401728 135 T 690401728 137 T 690401728 138 T 690401728 143 T 690401728 151 T 690401728 154 T 690401728 155 T 690401728 156 T 690401728 157 T 690401728 159 T 690401728 162 T 690401728 163 T 690401728 164 T 690401728 167 T 690401728 169 T 690401728 181 T 690401728 183 T 690401728 184 T 690401728 188 T 690401728 190 T 690401728 191 T 690401728 196 T 690401728 199 T 690401728 201 T 690401728 202 T 690401728 205 T 690401728 207 T 690401728 211 T 690401728 215 T 690401728 220 T 690401728 222 T 690401728 223 T 690401728 225 T 690401728 230 T 690401728 236 T 690401728 238 T 690401728 240 T 690401728 241 T 690401728 242 T 690401728 246 T 690401728 249 T 690401728 256 T 690401728 258 T 690401728 7 T 690401728 8 T 690401728 9 T 690401728 18 T 690401728 20 T 690401728 22 T 690401728 27 T 690401728 41 T 690401728 45 T 690401728 49 T 690401728 50 T 690401728 52 T 690401728 57 T 690401728 58 T 690401728 59 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 690401728 60 T 690401728 67 T 690401728 69 T 690401728 91 T 690401728 94 T 690401728 95 T 690401728 101 T 690401728 103 T 690401728 107 T 690401728 110 T 690401728 113 T 690401728 114 T 690401728 118 T 690401728 122 T 690401728 142 T 690401728 147 T 690401728 150 T 690401728 152 T 690401728 153 T 690401728 161 T 690401728 166 T 690401728 171 T 690401728 173 T 690401728 174 T 690401728 194 T 690401728 212 T 690401728 218 T 690401728 227 T 690401728 228 T 690401728 233 T 690401728 252 T 690401728 5 T 690401728 12 T 690401728 28 T 690401728 35 T 690401728 36 T 690401728 47 T 690401728 51 T 690401728 56 T 690401728 61 T 690401728 64 T 690401728 66 T 690401728 68 T 690401728 72 T 690401728 76 T 690401728 78 T 690401728 79 T 690401728 81 T 690401728 83 T 690401728 89 T 690401728 92 T 690401728 97 T 690401728 99 T 690401728 105 T 690401728 106 T 690401728 108 T 690401728 111 T 690401728 112 T 690401728 116 T 690401728 117 T 690401728 121 T 690401728 124 T 690401728 125 T 690401728 134 T 690401728 144 T 690401728 145 T 690401728 146 T 690401728 170 T 690401728 176 T 690401728 178 T 690401728 179 T 690401728 186 T 690401728 187 T 690401728 189 T 690401728 192 T 690401728 203 T 690401728 206 T 690401728 229 T 690401728 232 T 690401728 237 T 690401728 243 T 690401728 244 T 690401728 245 T 690401728 248 T 690401728 257 T 690401728 10 T 690401728 14 T 690401728 21 T 690401728 26 T 690401728 31 T 690401728 32 T 690401728 40 T 690401728 43 T 690401728 46 T 690401728 48 T 690401728 53 T 690401728 54 T 690401728 70 T 690401728 71 T 690401728 82 T 690401728 88 T 690401728 100 T 690401728 139 T 690401728 141 T 690401728 148 T 690401728 165 T 690401728 193 T 690401728 208 T 690401728 219 T 690401728 226 T 690401728 231 T 690401728 247 T 690401728 250 T 690401728 254 THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -5.27237E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -5.25449E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -5.27201E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -5.25448E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -5.27199E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -5.25446E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -5.27195E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -5.25447E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -5.26973E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -5.25446E+02 RMS 0.00
