Friday, September 20 2024 22:33:51
UNRES
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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 -988585728 8 T -988585728 10 T -988585728 11 T -988585728 14 T -988585728 16 T -988585728 19 T -988585728 20 T -988585728 22 T -988585728 23 T -988585728 24 T -988585728 25 T -988585728 26 T -988585728 29 T -988585728 30 T -988585728 31 T -988585728 33 T -988585728 34 T -988585728 36 T -988585728 37 T -988585728 38 T -988585728 39 T -988585728 40 T -988585728 42 T -988585728 43 T -988585728 44 T -988585728 46 T -988585728 47 T -988585728 49 T -988585728 52 T -988585728 53 T -988585728 56 T -988585728 58 T -988585728 60 T -988585728 62 T -988585728 67 T -988585728 68 T -988585728 70 T -988585728 78 T -988585728 79 T -988585728 82 T -988585728 83 T -988585728 84 T -988585728 85 T -988585728 94 T -988585728 95 T -988585728 97 T -988585728 99 T -988585728 100 T -988585728 101 T -988585728 104 T -988585728 106 T -988585728 108 T -988585728 109 T -988585728 110 T -988585728 111 T -988585728 113 T -988585728 114 T -988585728 119 T -988585728 120 T -988585728 121 T -988585728 122 T -988585728 125 T -988585728 127 T -988585728 129 T -988585728 130 T -988585728 132 T -988585728 140 T -988585728 143 T -988585728 147 T -988585728 153 T -988585728 157 T -988585728 159 T -988585728 161 T -988585728 163 T -988585728 1 T -988585728 2 T -988585728 3 T -988585728 4 T -988585728 5 T -988585728 6 T -988585728 9 T -988585728 12 T -988585728 13 T -988585728 15 T -988585728 18 T -988585728 21 T -988585728 28 T -988585728 32 T -988585728 41 T -988585728 48 T -988585728 50 T -988585728 51 T -988585728 57 T -988585728 63 T -988585728 64 T -988585728 66 T -988585728 69 T -988585728 73 T -988585728 74 T -988585728 75 T -988585728 76 T -988585728 77 T -988585728 96 T -988585728 107 T -988585728 112 T -988585728 118 T -988585728 135 T -988585728 149 T -988585728 150 T -988585728 156 T -988585728 45 T -988585728 54 T -988585728 61 T -988585728 81 T -988585728 86 T -988585728 89 T -988585728 90 T -988585728 91 T -988585728 98 T -988585728 105 T -988585728 115 T -988585728 116 T -988585728 117 T -988585728 124 T -988585728 126 T -988585728 128 T -988585728 131 T -988585728 136 T -988585728 137 T -988585728 138 T -988585728 139 T -988585728 141 T -988585728 142 T -988585728 144 T -988585728 145 T -988585728 146 T -988585728 148 T -988585728 151 T -988585728 152 T -988585728 154 T -988585728 155 T -988585728 158 T -988585728 162 T -988585728 165 T -988585728 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -988585728 167 T -988585728 7 T -988585728 17 T -988585728 27 T -988585728 55 T -988585728 59 T -988585728 72 T -988585728 80 T -988585728 87 T -988585728 88 T -988585728 92 T -988585728 93 T -988585728 103 T -988585728 123 T -988585728 133 T -988585728 134 T -988585728 160 T -988585728 35 T -988585728 65 T -988585728 71 T -988585728 102 T -988585728 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
