Sunday, September 22 2024 08:36:26
UNRES
6.69s
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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 -71043760 8 T -71043760 10 T -71043760 11 T -71043760 14 T -71043760 16 T -71043760 19 T -71043760 20 T -71043760 22 T -71043760 23 T -71043760 24 T -71043760 25 T -71043760 26 T -71043760 29 T -71043760 30 T -71043760 31 T -71043760 33 T -71043760 34 T -71043760 36 T -71043760 37 T -71043760 38 T -71043760 39 T -71043760 40 T -71043760 42 T -71043760 43 T -71043760 44 T -71043760 46 T -71043760 47 T -71043760 49 T -71043760 52 T -71043760 53 T -71043760 56 T -71043760 58 T -71043760 60 T -71043760 62 T -71043760 67 T -71043760 68 T -71043760 70 T -71043760 78 T -71043760 79 T -71043760 82 T -71043760 83 T -71043760 84 T -71043760 85 T -71043760 94 T -71043760 95 T -71043760 97 T -71043760 99 T -71043760 100 T -71043760 101 T -71043760 104 T -71043760 106 T -71043760 108 T -71043760 109 T -71043760 110 T -71043760 111 T -71043760 113 T -71043760 114 T -71043760 119 T -71043760 120 T -71043760 121 T -71043760 122 T -71043760 125 T -71043760 127 T -71043760 129 T -71043760 130 T -71043760 132 T -71043760 140 T -71043760 143 T -71043760 147 T -71043760 153 T -71043760 157 T -71043760 159 T -71043760 161 T -71043760 163 T -71043760 1 T -71043760 2 T -71043760 3 T -71043760 4 T -71043760 5 T -71043760 6 T -71043760 9 T -71043760 12 T -71043760 13 T -71043760 15 T -71043760 18 T -71043760 21 T -71043760 28 T -71043760 32 T -71043760 41 T -71043760 48 T -71043760 50 T -71043760 51 T -71043760 57 T -71043760 63 T -71043760 64 T -71043760 66 T -71043760 69 T -71043760 73 T -71043760 74 T -71043760 75 T -71043760 76 T -71043760 77 T -71043760 96 T -71043760 107 T -71043760 112 T -71043760 118 T -71043760 135 T -71043760 149 T -71043760 150 T -71043760 156 T -71043760 45 T -71043760 54 T -71043760 61 T -71043760 81 T -71043760 86 T -71043760 89 T -71043760 90 T -71043760 91 T -71043760 98 T -71043760 105 T -71043760 115 T -71043760 116 T -71043760 117 T -71043760 124 T -71043760 126 T -71043760 128 T -71043760 131 T -71043760 136 T -71043760 137 T -71043760 138 T -71043760 139 T -71043760 141 T -71043760 142 T -71043760 144 T -71043760 145 T -71043760 146 T -71043760 148 T -71043760 151 T -71043760 152 T -71043760 154 T -71043760 155 T -71043760 158 T -71043760 162 T -71043760 165 T -71043760 166 STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -71043760 167 T -71043760 7 T -71043760 17 T -71043760 27 T -71043760 55 T -71043760 59 T -71043760 72 T -71043760 80 T -71043760 87 T -71043760 88 T -71043760 92 T -71043760 93 T -71043760 103 T -71043760 123 T -71043760 133 T -71043760 134 T -71043760 160 T -71043760 35 T -71043760 65 T -71043760 71 T -71043760 102 T -71043760 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
