Friday, September 20 2024 03:37:02
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1716817776 1 T 1716817776 4 T 1716817776 9 T 1716817776 11 T 1716817776 15 T 1716817776 26 T 1716817776 33 T 1716817776 37 T 1716817776 38 T 1716817776 50 T 1716817776 53 T 1716817776 2 T 1716817776 8 T 1716817776 12 T 1716817776 14 T 1716817776 19 T 1716817776 24 T 1716817776 25 T 1716817776 28 T 1716817776 41 T 1716817776 43 T 1716817776 46 T 1716817776 47 T 1716817776 3 T 1716817776 5 T 1716817776 13 T 1716817776 16 T 1716817776 35 T 1716817776 48 T 1716817776 6 T 1716817776 10 T 1716817776 17 T 1716817776 20 T 1716817776 21 T 1716817776 22 T 1716817776 23 T 1716817776 29 T 1716817776 30 T 1716817776 31 T 1716817776 34 T 1716817776 39 T 1716817776 40 T 1716817776 42 T 1716817776 44 T 1716817776 45 T 1716817776 51 T 1716817776 52 T 1716817776 7 T 1716817776 18 T 1716817776 27 T 1716817776 32 T 1716817776 36 T 1716817776 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
