Friday, September 20 2024 02:59:28
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 936796928 1 T 936796928 4 T 936796928 9 T 936796928 11 T 936796928 15 T 936796928 26 T 936796928 33 T 936796928 37 T 936796928 38 T 936796928 50 T 936796928 53 T 936796928 2 T 936796928 8 T 936796928 12 T 936796928 14 T 936796928 19 T 936796928 24 T 936796928 25 T 936796928 28 T 936796928 41 T 936796928 43 T 936796928 46 T 936796928 47 T 936796928 3 T 936796928 5 T 936796928 13 T 936796928 16 T 936796928 35 T 936796928 48 T 936796928 6 T 936796928 10 T 936796928 17 T 936796928 20 T 936796928 21 T 936796928 22 T 936796928 23 T 936796928 29 T 936796928 30 T 936796928 31 T 936796928 34 T 936796928 39 T 936796928 40 T 936796928 42 T 936796928 44 T 936796928 45 T 936796928 51 T 936796928 52 T 936796928 7 T 936796928 18 T 936796928 27 T 936796928 32 T 936796928 36 T 936796928 49 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.87926E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00239E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.50972E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.85452E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.58551E+00 AVE RMSD 4.72 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.94537E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.78127E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.36579E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.34186E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.61895E+00 RMS 3.96
