Saturday, September 21 2024 05:00:33
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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 175719856 8 T 175719856 10 T 175719856 11 T 175719856 14 T 175719856 16 T 175719856 19 T 175719856 20 T 175719856 22 T 175719856 23 T 175719856 24 T 175719856 25 T 175719856 26 T 175719856 29 T 175719856 30 T 175719856 31 T 175719856 33 T 175719856 34 T 175719856 36 T 175719856 37 T 175719856 38 T 175719856 39 T 175719856 40 T 175719856 42 T 175719856 43 T 175719856 44 T 175719856 46 T 175719856 47 T 175719856 49 T 175719856 52 T 175719856 53 T 175719856 56 T 175719856 58 T 175719856 60 T 175719856 62 T 175719856 67 T 175719856 68 T 175719856 70 T 175719856 78 T 175719856 79 T 175719856 82 T 175719856 83 T 175719856 84 T 175719856 85 T 175719856 94 T 175719856 95 T 175719856 97 T 175719856 99 T 175719856 100 T 175719856 101 T 175719856 104 T 175719856 106 T 175719856 108 T 175719856 109 T 175719856 110 T 175719856 111 T 175719856 113 T 175719856 114 T 175719856 119 T 175719856 120 T 175719856 121 T 175719856 122 T 175719856 125 T 175719856 127 T 175719856 129 T 175719856 130 T 175719856 132 T 175719856 140 T 175719856 143 T 175719856 147 T 175719856 153 T 175719856 157 T 175719856 159 T 175719856 161 T 175719856 163 T 175719856 1 T 175719856 2 T 175719856 3 T 175719856 4 T 175719856 5 T 175719856 6 T 175719856 9 T 175719856 12 T 175719856 13 T 175719856 15 T 175719856 18 T 175719856 21 T 175719856 28 T 175719856 32 T 175719856 41 T 175719856 48 T 175719856 50 T 175719856 51 T 175719856 57 T 175719856 63 T 175719856 64 T 175719856 66 T 175719856 69 T 175719856 73 T 175719856 74 T 175719856 75 T 175719856 76 T 175719856 77 T 175719856 96 T 175719856 107 T 175719856 112 T 175719856 118 T 175719856 135 T 175719856 149 T 175719856 150 T 175719856 156 T 175719856 45 T 175719856 54 T 175719856 61 T 175719856 81 T 175719856 86 T 175719856 89 T 175719856 90 T 175719856 91 T 175719856 98 T 175719856 105 T 175719856 115 T 175719856 116 T 175719856 117 T 175719856 124 T 175719856 126 T 175719856 128 T 175719856 131 T 175719856 136 T 175719856 137 T 175719856 138 T 175719856 139 T 175719856 141 T 175719856 142 T 175719856 144 T 175719856 145 T 175719856 146 T 175719856 148 T 175719856 151 T 175719856 152 T 175719856 154 T 175719856 155 T 175719856 158 T 175719856 162 T 175719856 165 T 175719856 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 175719856 167 T 175719856 7 T 175719856 17 T 175719856 27 T 175719856 55 T 175719856 59 T 175719856 72 T 175719856 80 T 175719856 87 T 175719856 88 T 175719856 92 T 175719856 93 T 175719856 103 T 175719856 123 T 175719856 133 T 175719856 134 T 175719856 160 T 175719856 35 T 175719856 65 T 175719856 71 T 175719856 102 T 175719856 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 -8.95672E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -8.97513E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -8.95717E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -8.97022E+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 -8.95636E+02 RMS 0.00
