Saturday, September 21 2024 16:50:58
UNRES
1.09s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 613509168 1 T 613509168 4 T 613509168 9 T 613509168 12 T 613509168 15 T 613509168 26 T 613509168 33 T 613509168 37 T 613509168 38 T 613509168 50 T 613509168 53 T 613509168 2 T 613509168 7 T 613509168 11 T 613509168 14 T 613509168 19 T 613509168 24 T 613509168 25 T 613509168 28 T 613509168 42 T 613509168 43 T 613509168 45 T 613509168 47 T 613509168 3 T 613509168 5 T 613509168 13 T 613509168 16 T 613509168 35 T 613509168 48 T 613509168 6 T 613509168 10 T 613509168 17 T 613509168 20 T 613509168 21 T 613509168 22 T 613509168 23 T 613509168 29 T 613509168 30 T 613509168 32 T 613509168 34 T 613509168 39 T 613509168 40 T 613509168 41 T 613509168 44 T 613509168 46 T 613509168 51 T 613509168 52 T 613509168 8 T 613509168 18 T 613509168 27 T 613509168 31 T 613509168 36 T 613509168 49 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.88719E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00998E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.51604E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.86048E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.59557E+00 AVE RMSD 4.73 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.95984E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.79408E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.38056E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.35101E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.63064E+00 RMS 3.96
