Sunday, September 22 2024 20:18:53
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5.81s
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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 -337367408 8 T -337367408 10 T -337367408 11 T -337367408 14 T -337367408 16 T -337367408 19 T -337367408 20 T -337367408 22 T -337367408 23 T -337367408 24 T -337367408 25 T -337367408 26 T -337367408 29 T -337367408 30 T -337367408 31 T -337367408 33 T -337367408 34 T -337367408 36 T -337367408 37 T -337367408 38 T -337367408 39 T -337367408 40 T -337367408 42 T -337367408 43 T -337367408 44 T -337367408 46 T -337367408 47 T -337367408 49 T -337367408 52 T -337367408 53 T -337367408 56 T -337367408 58 T -337367408 60 T -337367408 62 T -337367408 67 T -337367408 68 T -337367408 70 T -337367408 78 T -337367408 79 T -337367408 82 T -337367408 83 T -337367408 84 T -337367408 85 T -337367408 94 T -337367408 95 T -337367408 97 T -337367408 99 T -337367408 100 T -337367408 101 T -337367408 104 T -337367408 106 T -337367408 108 T -337367408 109 T -337367408 110 T -337367408 111 T -337367408 113 T -337367408 114 T -337367408 119 T -337367408 120 T -337367408 121 T -337367408 122 T -337367408 125 T -337367408 127 T -337367408 129 T -337367408 130 T -337367408 132 T -337367408 140 T -337367408 143 T -337367408 147 T -337367408 153 T -337367408 157 T -337367408 159 T -337367408 161 T -337367408 163 T -337367408 1 T -337367408 2 T -337367408 3 T -337367408 4 T -337367408 5 T -337367408 6 T -337367408 9 T -337367408 12 T -337367408 13 T -337367408 15 T -337367408 18 T -337367408 21 T -337367408 28 T -337367408 32 T -337367408 41 T -337367408 48 T -337367408 50 T -337367408 51 T -337367408 57 T -337367408 63 T -337367408 64 T -337367408 66 T -337367408 69 T -337367408 73 T -337367408 74 T -337367408 75 T -337367408 76 T -337367408 77 T -337367408 96 T -337367408 107 T -337367408 112 T -337367408 118 T -337367408 135 T -337367408 149 T -337367408 150 T -337367408 156 T -337367408 45 T -337367408 54 T -337367408 61 T -337367408 81 T -337367408 86 T -337367408 89 T -337367408 90 T -337367408 91 T -337367408 98 T -337367408 105 T -337367408 115 T -337367408 116 T -337367408 117 T -337367408 124 T -337367408 126 T -337367408 128 T -337367408 131 T -337367408 136 T -337367408 137 T -337367408 138 T -337367408 139 T -337367408 141 T -337367408 142 T -337367408 144 T -337367408 145 T -337367408 146 T -337367408 148 T -337367408 151 T -337367408 152 T -337367408 154 T -337367408 155 T -337367408 158 T -337367408 162 T -337367408 165 T -337367408 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -337367408 167 T -337367408 7 T -337367408 17 T -337367408 27 T -337367408 55 T -337367408 59 T -337367408 72 T -337367408 80 T -337367408 87 T -337367408 88 T -337367408 92 T -337367408 93 T -337367408 103 T -337367408 123 T -337367408 133 T -337367408 134 T -337367408 160 T -337367408 35 T -337367408 65 T -337367408 71 T -337367408 102 T -337367408 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
