Monday, September 23 2024 20:30:45
UNRES
5.08s
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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 -850701312 1 T -850701312 4 T -850701312 6 T -850701312 19 T -850701312 23 T -850701312 24 T -850701312 29 T -850701312 33 T -850701312 34 T -850701312 37 T -850701312 38 T -850701312 39 T -850701312 44 T -850701312 55 T -850701312 74 T -850701312 77 T -850701312 84 T -850701312 85 T -850701312 86 T -850701312 87 T -850701312 90 T -850701312 98 T -850701312 102 T -850701312 104 T -850701312 109 T -850701312 115 T -850701312 126 T -850701312 127 T -850701312 131 T -850701312 132 T -850701312 136 T -850701312 140 T -850701312 149 T -850701312 158 T -850701312 160 T -850701312 168 T -850701312 172 T -850701312 175 T -850701312 177 T -850701312 180 T -850701312 182 T -850701312 185 T -850701312 195 T -850701312 197 T -850701312 198 T -850701312 200 T -850701312 204 T -850701312 209 T -850701312 210 T -850701312 213 T -850701312 214 T -850701312 216 T -850701312 217 T -850701312 221 T -850701312 224 T -850701312 234 T -850701312 235 T -850701312 239 T -850701312 251 T -850701312 253 T -850701312 255 T -850701312 2 T -850701312 3 T -850701312 11 T -850701312 13 T -850701312 15 T -850701312 16 T -850701312 17 T -850701312 25 T -850701312 30 T -850701312 42 T -850701312 62 T -850701312 63 T -850701312 65 T -850701312 73 T -850701312 75 T -850701312 80 T -850701312 93 T -850701312 96 T -850701312 119 T -850701312 120 T -850701312 123 T -850701312 128 T -850701312 129 T -850701312 130 T -850701312 133 T -850701312 135 T -850701312 137 T -850701312 138 T -850701312 143 T -850701312 151 T -850701312 154 T -850701312 155 T -850701312 156 T -850701312 157 T -850701312 159 T -850701312 162 T -850701312 163 T -850701312 164 T -850701312 167 T -850701312 169 T -850701312 181 T -850701312 183 T -850701312 184 T -850701312 188 T -850701312 190 T -850701312 191 T -850701312 196 T -850701312 199 T -850701312 201 T -850701312 202 T -850701312 205 T -850701312 207 T -850701312 211 T -850701312 215 T -850701312 220 T -850701312 222 T -850701312 223 T -850701312 225 T -850701312 230 T -850701312 236 T -850701312 238 T -850701312 240 T -850701312 241 T -850701312 242 T -850701312 246 T -850701312 249 T -850701312 256 T -850701312 258 T -850701312 7 T -850701312 8 T -850701312 9 T -850701312 18 T -850701312 20 T -850701312 22 T -850701312 27 T -850701312 41 T -850701312 45 T -850701312 49 T -850701312 50 T -850701312 52 T -850701312 57 T -850701312 58 T -850701312 59 T -850701312 60 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -850701312 67 T -850701312 69 T -850701312 91 T -850701312 94 T -850701312 95 T -850701312 101 T -850701312 103 T -850701312 107 T -850701312 110 T -850701312 113 T -850701312 114 T -850701312 118 T -850701312 122 T -850701312 142 T -850701312 147 T -850701312 150 T -850701312 152 T -850701312 153 T -850701312 161 T -850701312 166 T -850701312 171 T -850701312 173 T -850701312 174 T -850701312 194 T -850701312 212 T -850701312 218 T -850701312 227 T -850701312 228 T -850701312 233 T -850701312 252 T -850701312 5 T -850701312 12 T -850701312 28 T -850701312 35 T -850701312 36 T -850701312 47 T -850701312 51 T -850701312 56 T -850701312 61 T -850701312 64 T -850701312 66 T -850701312 68 T -850701312 72 T -850701312 76 T -850701312 78 T -850701312 79 T -850701312 81 T -850701312 83 T -850701312 89 T -850701312 92 T -850701312 97 T -850701312 99 T -850701312 105 T -850701312 106 T -850701312 108 T -850701312 111 T -850701312 112 T -850701312 116 T -850701312 117 T -850701312 121 T -850701312 124 T -850701312 125 T -850701312 134 T -850701312 144 T -850701312 145 T -850701312 146 T -850701312 170 T -850701312 176 T -850701312 178 T -850701312 179 T -850701312 186 T -850701312 187 T -850701312 189 T -850701312 192 T -850701312 203 T -850701312 206 T -850701312 229 T -850701312 232 T -850701312 237 T -850701312 243 T -850701312 244 T -850701312 245 T -850701312 248 T -850701312 257 T -850701312 10 T -850701312 14 T -850701312 21 T -850701312 26 T -850701312 31 T -850701312 32 T -850701312 40 T -850701312 43 T -850701312 46 T -850701312 48 T -850701312 53 T -850701312 54 T -850701312 70 T -850701312 71 T -850701312 82 T -850701312 88 T -850701312 100 T -850701312 139 T -850701312 141 T -850701312 148 T -850701312 165 T -850701312 193 T -850701312 208 T -850701312 219 T -850701312 226 T -850701312 231 T -850701312 247 T -850701312 250 T -850701312 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
