Tuesday, November 05 2024 03:32:27
UNRES
5.15s
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CTEST_FULL_OUTPUT JESTEM ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! T 105 8 T 105 10 T 105 12 T 105 13 T 105 16 T 105 19 T 105 20 T 105 22 T 105 23 T 105 24 T 105 25 T 105 26 T 105 29 T 105 30 T 105 31 T 105 32 T 105 34 T 105 36 T 105 37 T 105 38 T 105 39 T 105 40 T 105 42 T 105 43 T 105 44 T 105 46 T 105 47 T 105 50 T 105 52 T 105 53 T 105 55 T 105 58 T 105 60 T 105 62 T 105 67 T 105 68 T 105 70 T 105 78 T 105 79 T 105 82 T 105 83 T 105 84 T 105 85 T 105 94 T 105 95 T 105 97 T 105 99 T 105 100 T 105 101 T 105 104 T 105 106 T 105 108 T 105 109 T 105 110 T 105 111 T 105 113 T 105 114 T 105 119 T 105 120 T 105 121 T 105 122 T 105 125 T 105 127 T 105 129 T 105 130 T 105 132 T 105 140 T 105 143 T 105 147 T 105 153 T 105 157 T 105 159 T 105 161 T 105 163 T 105 1 T 105 2 T 105 3 T 105 4 T 105 5 T 105 6 T 105 9 T 105 11 T 105 14 T 105 15 T 105 18 T 105 21 T 105 28 T 105 35 T 105 41 T 105 48 T 105 49 T 105 51 T 105 57 T 105 63 T 105 64 T 105 66 T 105 69 T 105 73 T 105 74 T 105 75 T 105 76 T 105 77 T 105 96 T 105 107 T 105 112 T 105 118 T 105 135 T 105 149 T 105 150 T 105 156 T 105 45 T 105 54 T 105 61 T 105 81 T 105 86 T 105 89 T 105 90 T 105 91 T 105 98 T 105 105 T 105 115 T 105 116 T 105 117 T 105 124 T 105 126 T 105 128 T 105 131 T 105 136 T 105 137 T 105 138 T 105 139 T 105 141 T 105 142 T 105 144 T 105 145 T 105 146 T 105 148 T 105 151 T 105 152 T 105 154 T 105 155 T 105 158 T 105 162 T 105 165 T 105 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 105 167 T 105 7 T 105 17 T 105 27 T 105 56 T 105 59 T 105 72 T 105 80 T 105 87 T 105 88 T 105 92 T 105 93 T 105 103 T 105 123 T 105 133 T 105 134 T 105 160 T 105 33 T 105 65 T 105 71 T 105 102 T 105 164 THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -8.97822E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -8.95671E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -8.97512E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -8.95715E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -8.97021E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -8.95605E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -8.96936E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -8.95673E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -8.96287E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -8.95635E+02 RMS 0.00
