Saturday, September 21 2024 10:20:18
UNRES
4.72s
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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 1119414080 1 T 1119414080 2 T 1119414080 3 T 1119414080 4 T 1119414080 5 T 1119414080 6 T 1119414080 7 T 1119414080 8 T 1119414080 9 T 1119414080 10 T 1119414080 11 T 1119414080 12 T 1119414080 13 T 1119414080 14 T 1119414080 15 T 1119414080 18 T 1119414080 21 T 1119414080 23 T 1119414080 25 T 1119414080 27 T 1119414080 30 T 1119414080 33 T 1119414080 41 T 1119414080 43 T 1119414080 44 T 1119414080 51 T 1119414080 54 T 1119414080 58 T 1119414080 59 T 1119414080 64 T 1119414080 65 T 1119414080 66 T 1119414080 69 T 1119414080 75 T 1119414080 77 T 1119414080 79 T 1119414080 80 T 1119414080 83 T 1119414080 87 T 1119414080 89 T 1119414080 90 T 1119414080 91 T 1119414080 93 T 1119414080 97 T 1119414080 98 T 1119414080 102 T 1119414080 106 T 1119414080 109 T 1119414080 115 T 1119414080 116 T 1119414080 119 T 1119414080 120 T 1119414080 122 T 1119414080 125 T 1119414080 129 T 1119414080 133 T 1119414080 139 T 1119414080 141 T 1119414080 143 T 1119414080 145 T 1119414080 151 T 1119414080 153 T 1119414080 156 T 1119414080 164 T 1119414080 167 T 1119414080 169 T 1119414080 173 T 1119414080 178 T 1119414080 179 T 1119414080 183 T 1119414080 184 T 1119414080 190 T 1119414080 191 T 1119414080 192 T 1119414080 196 T 1119414080 200 T 1119414080 16 T 1119414080 17 T 1119414080 19 T 1119414080 20 T 1119414080 22 T 1119414080 24 T 1119414080 26 T 1119414080 28 T 1119414080 29 T 1119414080 31 T 1119414080 35 T 1119414080 38 T 1119414080 40 T 1119414080 42 T 1119414080 45 T 1119414080 46 T 1119414080 48 T 1119414080 49 T 1119414080 52 T 1119414080 53 T 1119414080 55 T 1119414080 60 T 1119414080 61 T 1119414080 62 T 1119414080 63 T 1119414080 81 T 1119414080 85 T 1119414080 88 T 1119414080 92 T 1119414080 94 T 1119414080 95 T 1119414080 99 T 1119414080 100 T 1119414080 104 T 1119414080 107 T 1119414080 108 T 1119414080 110 T 1119414080 111 T 1119414080 124 T 1119414080 126 T 1119414080 127 T 1119414080 128 T 1119414080 130 T 1119414080 140 T 1119414080 150 T 1119414080 155 T 1119414080 32 T 1119414080 34 T 1119414080 36 T 1119414080 39 T 1119414080 47 T 1119414080 50 T 1119414080 56 T 1119414080 57 T 1119414080 68 T 1119414080 70 T 1119414080 71 T 1119414080 72 T 1119414080 73 T 1119414080 76 T 1119414080 78 T 1119414080 82 T 1119414080 84 T 1119414080 86 T 1119414080 96 T 1119414080 101 T 1119414080 103 T 1119414080 105 T 1119414080 112 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1119414080 113 T 1119414080 117 T 1119414080 118 T 1119414080 121 T 1119414080 123 T 1119414080 131 T 1119414080 132 T 1119414080 135 T 1119414080 136 T 1119414080 137 T 1119414080 138 T 1119414080 142 T 1119414080 149 T 1119414080 160 T 1119414080 161 T 1119414080 162 T 1119414080 166 T 1119414080 168 T 1119414080 174 T 1119414080 176 T 1119414080 177 T 1119414080 180 T 1119414080 181 T 1119414080 185 T 1119414080 187 T 1119414080 189 T 1119414080 193 T 1119414080 37 T 1119414080 67 T 1119414080 74 T 1119414080 114 T 1119414080 134 T 1119414080 144 T 1119414080 146 T 1119414080 147 T 1119414080 148 T 1119414080 152 T 1119414080 157 T 1119414080 158 T 1119414080 163 T 1119414080 165 T 1119414080 170 T 1119414080 171 T 1119414080 172 T 1119414080 175 T 1119414080 182 T 1119414080 188 T 1119414080 194 T 1119414080 195 T 1119414080 197 T 1119414080 198 T 1119414080 199 T 1119414080 201 T 1119414080 202 T 1119414080 154 T 1119414080 159 T 1119414080 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
