Saturday, September 21 2024 04:53:09
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 -1907192384 1 T -1907192384 2 T -1907192384 3 T -1907192384 4 T -1907192384 5 T -1907192384 6 T -1907192384 7 T -1907192384 8 T -1907192384 9 T -1907192384 10 T -1907192384 11 T -1907192384 12 T -1907192384 13 T -1907192384 14 T -1907192384 15 T -1907192384 18 T -1907192384 21 T -1907192384 23 T -1907192384 25 T -1907192384 27 T -1907192384 30 T -1907192384 33 T -1907192384 41 T -1907192384 43 T -1907192384 44 T -1907192384 51 T -1907192384 54 T -1907192384 58 T -1907192384 59 T -1907192384 64 T -1907192384 65 T -1907192384 66 T -1907192384 69 T -1907192384 75 T -1907192384 77 T -1907192384 79 T -1907192384 80 T -1907192384 83 T -1907192384 87 T -1907192384 89 T -1907192384 90 T -1907192384 91 T -1907192384 93 T -1907192384 97 T -1907192384 98 T -1907192384 102 T -1907192384 106 T -1907192384 109 T -1907192384 115 T -1907192384 116 T -1907192384 119 T -1907192384 120 T -1907192384 122 T -1907192384 125 T -1907192384 129 T -1907192384 133 T -1907192384 139 T -1907192384 141 T -1907192384 143 T -1907192384 145 T -1907192384 151 T -1907192384 153 T -1907192384 156 T -1907192384 164 T -1907192384 167 T -1907192384 169 T -1907192384 173 T -1907192384 178 T -1907192384 179 T -1907192384 183 T -1907192384 184 T -1907192384 190 T -1907192384 191 T -1907192384 192 T -1907192384 196 T -1907192384 200 T -1907192384 16 T -1907192384 17 T -1907192384 19 T -1907192384 20 T -1907192384 22 T -1907192384 24 T -1907192384 26 T -1907192384 28 T -1907192384 29 T -1907192384 31 T -1907192384 35 T -1907192384 38 T -1907192384 40 T -1907192384 42 T -1907192384 45 T -1907192384 46 T -1907192384 48 T -1907192384 49 T -1907192384 52 T -1907192384 53 T -1907192384 55 T -1907192384 60 T -1907192384 61 T -1907192384 62 T -1907192384 63 T -1907192384 81 T -1907192384 85 T -1907192384 88 T -1907192384 92 T -1907192384 94 T -1907192384 95 T -1907192384 99 T -1907192384 100 T -1907192384 104 T -1907192384 107 T -1907192384 108 T -1907192384 110 T -1907192384 111 T -1907192384 124 T -1907192384 126 T -1907192384 127 T -1907192384 128 T -1907192384 130 T -1907192384 140 T -1907192384 150 T -1907192384 155 T -1907192384 32 T -1907192384 34 T -1907192384 36 T -1907192384 39 T -1907192384 47 T -1907192384 50 T -1907192384 56 T -1907192384 57 T -1907192384 68 T -1907192384 70 T -1907192384 71 T -1907192384 72 T -1907192384 73 T -1907192384 76 T -1907192384 78 T -1907192384 82 T -1907192384 84 T -1907192384 86 T -1907192384 96 T -1907192384 101 T -1907192384 103 T -1907192384 105 T -1907192384 112 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1907192384 113 T -1907192384 117 T -1907192384 118 T -1907192384 121 T -1907192384 123 T -1907192384 131 T -1907192384 132 T -1907192384 135 T -1907192384 136 T -1907192384 137 T -1907192384 138 T -1907192384 142 T -1907192384 149 T -1907192384 160 T -1907192384 161 T -1907192384 162 T -1907192384 166 T -1907192384 168 T -1907192384 174 T -1907192384 176 T -1907192384 177 T -1907192384 180 T -1907192384 181 T -1907192384 185 T -1907192384 187 T -1907192384 189 T -1907192384 193 T -1907192384 37 T -1907192384 67 T -1907192384 74 T -1907192384 114 T -1907192384 134 T -1907192384 144 T -1907192384 146 T -1907192384 147 T -1907192384 148 T -1907192384 152 T -1907192384 157 T -1907192384 158 T -1907192384 163 T -1907192384 165 T -1907192384 170 T -1907192384 171 T -1907192384 172 T -1907192384 175 T -1907192384 182 T -1907192384 188 T -1907192384 194 T -1907192384 195 T -1907192384 197 T -1907192384 198 T -1907192384 199 T -1907192384 201 T -1907192384 202 T -1907192384 154 T -1907192384 159 T -1907192384 186 THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -5.19185E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -5.17115E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -5.18983E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -5.17064E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -5.18773E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -5.17019E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -5.17998E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -5.17013E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -5.16436E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -5.16021E+02 RMS 0.00
