Monday, September 23 2024 01:34:03
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1125167552 1 T 1125167552 4 T 1125167552 9 T 1125167552 12 T 1125167552 15 T 1125167552 26 T 1125167552 33 T 1125167552 37 T 1125167552 38 T 1125167552 50 T 1125167552 53 T 1125167552 2 T 1125167552 7 T 1125167552 11 T 1125167552 14 T 1125167552 19 T 1125167552 24 T 1125167552 25 T 1125167552 28 T 1125167552 42 T 1125167552 43 T 1125167552 45 T 1125167552 47 T 1125167552 3 T 1125167552 5 T 1125167552 13 T 1125167552 16 T 1125167552 35 T 1125167552 48 T 1125167552 6 T 1125167552 10 T 1125167552 17 T 1125167552 20 T 1125167552 21 T 1125167552 22 T 1125167552 23 T 1125167552 29 T 1125167552 30 T 1125167552 32 T 1125167552 34 T 1125167552 39 T 1125167552 40 T 1125167552 41 T 1125167552 44 T 1125167552 46 T 1125167552 51 T 1125167552 52 T 1125167552 8 T 1125167552 18 T 1125167552 27 T 1125167552 31 T 1125167552 36 T 1125167552 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
