Wednesday, September 25 2024 02:34:47
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 648883248 1 T 648883248 4 T 648883248 9 T 648883248 12 T 648883248 15 T 648883248 26 T 648883248 33 T 648883248 37 T 648883248 38 T 648883248 50 T 648883248 53 T 648883248 2 T 648883248 7 T 648883248 11 T 648883248 14 T 648883248 19 T 648883248 24 T 648883248 25 T 648883248 28 T 648883248 42 T 648883248 43 T 648883248 45 T 648883248 47 T 648883248 3 T 648883248 5 T 648883248 13 T 648883248 16 T 648883248 35 T 648883248 48 T 648883248 6 T 648883248 10 T 648883248 17 T 648883248 20 T 648883248 21 T 648883248 22 T 648883248 23 T 648883248 29 T 648883248 30 T 648883248 32 T 648883248 34 T 648883248 39 T 648883248 40 T 648883248 41 T 648883248 44 T 648883248 46 T 648883248 51 T 648883248 52 T 648883248 8 T 648883248 18 T 648883248 27 T 648883248 31 T 648883248 36 T 648883248 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
