Thursday, September 19 2024 09:24:50
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0.53s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1910726080 1 T 1910726080 4 T 1910726080 9 T 1910726080 11 T 1910726080 15 T 1910726080 26 T 1910726080 33 T 1910726080 37 T 1910726080 38 T 1910726080 50 T 1910726080 53 T 1910726080 2 T 1910726080 8 T 1910726080 12 T 1910726080 14 T 1910726080 19 T 1910726080 24 T 1910726080 25 T 1910726080 28 T 1910726080 41 T 1910726080 43 T 1910726080 46 T 1910726080 47 T 1910726080 3 T 1910726080 5 T 1910726080 13 T 1910726080 16 T 1910726080 35 T 1910726080 48 T 1910726080 6 T 1910726080 10 T 1910726080 17 T 1910726080 20 T 1910726080 21 T 1910726080 22 T 1910726080 23 T 1910726080 29 T 1910726080 30 T 1910726080 31 T 1910726080 34 T 1910726080 39 T 1910726080 40 T 1910726080 42 T 1910726080 44 T 1910726080 45 T 1910726080 51 T 1910726080 52 T 1910726080 7 T 1910726080 18 T 1910726080 27 T 1910726080 32 T 1910726080 36 T 1910726080 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
