Saturday, September 21 2024 06:42:23
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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 -308455696 8 T -308455696 10 T -308455696 11 T -308455696 14 T -308455696 16 T -308455696 19 T -308455696 20 T -308455696 22 T -308455696 23 T -308455696 24 T -308455696 25 T -308455696 26 T -308455696 29 T -308455696 30 T -308455696 31 T -308455696 33 T -308455696 34 T -308455696 36 T -308455696 37 T -308455696 38 T -308455696 39 T -308455696 40 T -308455696 42 T -308455696 43 T -308455696 44 T -308455696 46 T -308455696 47 T -308455696 49 T -308455696 52 T -308455696 53 T -308455696 56 T -308455696 58 T -308455696 60 T -308455696 62 T -308455696 67 T -308455696 68 T -308455696 70 T -308455696 78 T -308455696 79 T -308455696 82 T -308455696 83 T -308455696 84 T -308455696 85 T -308455696 94 T -308455696 95 T -308455696 97 T -308455696 99 T -308455696 100 T -308455696 101 T -308455696 104 T -308455696 106 T -308455696 108 T -308455696 109 T -308455696 110 T -308455696 111 T -308455696 113 T -308455696 114 T -308455696 119 T -308455696 120 T -308455696 121 T -308455696 122 T -308455696 125 T -308455696 127 T -308455696 129 T -308455696 130 T -308455696 132 T -308455696 140 T -308455696 143 T -308455696 147 T -308455696 153 T -308455696 157 T -308455696 159 T -308455696 161 T -308455696 163 T -308455696 1 T -308455696 2 T -308455696 3 T -308455696 4 T -308455696 5 T -308455696 6 T -308455696 9 T -308455696 12 T -308455696 13 T -308455696 15 T -308455696 18 T -308455696 21 T -308455696 28 T -308455696 32 T -308455696 41 T -308455696 48 T -308455696 50 T -308455696 51 T -308455696 57 T -308455696 63 T -308455696 64 T -308455696 66 T -308455696 69 T -308455696 73 T -308455696 74 T -308455696 75 T -308455696 76 T -308455696 77 T -308455696 96 T -308455696 107 T -308455696 112 T -308455696 118 T -308455696 135 T -308455696 149 T -308455696 150 T -308455696 156 T -308455696 45 T -308455696 54 T -308455696 61 T -308455696 81 T -308455696 86 T -308455696 89 T -308455696 90 T -308455696 91 T -308455696 98 T -308455696 105 T -308455696 115 T -308455696 116 T -308455696 117 T -308455696 124 T -308455696 126 T -308455696 128 T -308455696 131 T -308455696 136 T -308455696 137 T -308455696 138 T -308455696 139 T -308455696 141 T -308455696 142 T -308455696 144 T -308455696 145 T -308455696 146 T -308455696 148 T -308455696 151 T -308455696 152 T -308455696 154 T -308455696 155 T -308455696 158 T -308455696 162 T -308455696 165 T -308455696 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -308455696 167 T -308455696 7 T -308455696 17 T -308455696 27 T -308455696 55 T -308455696 59 T -308455696 72 T -308455696 80 T -308455696 87 T -308455696 88 T -308455696 92 T -308455696 93 T -308455696 103 T -308455696 123 T -308455696 133 T -308455696 134 T -308455696 160 T -308455696 35 T -308455696 65 T -308455696 71 T -308455696 102 T -308455696 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
