Friday, September 20 2024 15:14:47
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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 -165264080 8 T -165264080 10 T -165264080 11 T -165264080 14 T -165264080 16 T -165264080 19 T -165264080 20 T -165264080 22 T -165264080 23 T -165264080 24 T -165264080 25 T -165264080 26 T -165264080 29 T -165264080 30 T -165264080 31 T -165264080 33 T -165264080 34 T -165264080 36 T -165264080 37 T -165264080 38 T -165264080 39 T -165264080 40 T -165264080 42 T -165264080 43 T -165264080 44 T -165264080 46 T -165264080 47 T -165264080 49 T -165264080 52 T -165264080 53 T -165264080 56 T -165264080 58 T -165264080 60 T -165264080 62 T -165264080 67 T -165264080 68 T -165264080 70 T -165264080 78 T -165264080 79 T -165264080 82 T -165264080 83 T -165264080 84 T -165264080 85 T -165264080 94 T -165264080 95 T -165264080 97 T -165264080 99 T -165264080 100 T -165264080 101 T -165264080 104 T -165264080 106 T -165264080 108 T -165264080 109 T -165264080 110 T -165264080 111 T -165264080 113 T -165264080 114 T -165264080 119 T -165264080 120 T -165264080 121 T -165264080 122 T -165264080 125 T -165264080 127 T -165264080 129 T -165264080 130 T -165264080 132 T -165264080 140 T -165264080 143 T -165264080 147 T -165264080 153 T -165264080 157 T -165264080 159 T -165264080 161 T -165264080 163 T -165264080 1 T -165264080 2 T -165264080 3 T -165264080 4 T -165264080 5 T -165264080 6 T -165264080 9 T -165264080 12 T -165264080 13 T -165264080 15 T -165264080 18 T -165264080 21 T -165264080 28 T -165264080 32 T -165264080 41 T -165264080 48 T -165264080 50 T -165264080 51 T -165264080 57 T -165264080 63 T -165264080 64 T -165264080 66 T -165264080 69 T -165264080 73 T -165264080 74 T -165264080 75 T -165264080 76 T -165264080 77 T -165264080 96 T -165264080 107 T -165264080 112 T -165264080 118 T -165264080 135 T -165264080 149 T -165264080 150 T -165264080 156 T -165264080 45 T -165264080 54 T -165264080 61 T -165264080 81 T -165264080 86 T -165264080 89 T -165264080 90 T -165264080 91 T -165264080 98 T -165264080 105 T -165264080 115 T -165264080 116 T -165264080 117 T -165264080 124 T -165264080 126 T -165264080 128 T -165264080 131 T -165264080 136 T -165264080 137 T -165264080 138 T -165264080 139 T -165264080 141 T -165264080 142 T -165264080 144 T -165264080 145 T -165264080 146 T -165264080 148 T -165264080 151 T -165264080 152 T -165264080 154 T -165264080 155 T -165264080 158 T -165264080 162 T -165264080 165 T -165264080 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -165264080 167 T -165264080 7 T -165264080 17 T -165264080 27 T -165264080 55 T -165264080 59 T -165264080 72 T -165264080 80 T -165264080 87 T -165264080 88 T -165264080 92 T -165264080 93 T -165264080 103 T -165264080 123 T -165264080 133 T -165264080 134 T -165264080 160 T -165264080 35 T -165264080 65 T -165264080 71 T -165264080 102 T -165264080 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
