Wednesday, September 25 2024 16:24:12
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 748798944 1 T 748798944 4 T 748798944 9 T 748798944 12 T 748798944 15 T 748798944 26 T 748798944 33 T 748798944 37 T 748798944 38 T 748798944 50 T 748798944 53 T 748798944 2 T 748798944 7 T 748798944 11 T 748798944 14 T 748798944 19 T 748798944 24 T 748798944 25 T 748798944 28 T 748798944 42 T 748798944 43 T 748798944 45 T 748798944 47 T 748798944 3 T 748798944 5 T 748798944 13 T 748798944 16 T 748798944 35 T 748798944 48 T 748798944 6 T 748798944 10 T 748798944 17 T 748798944 20 T 748798944 21 T 748798944 22 T 748798944 23 T 748798944 29 T 748798944 30 T 748798944 32 T 748798944 34 T 748798944 39 T 748798944 40 T 748798944 41 T 748798944 44 T 748798944 46 T 748798944 51 T 748798944 52 T 748798944 8 T 748798944 18 T 748798944 27 T 748798944 31 T 748798944 36 T 748798944 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
