Friday, September 27 2024 15:27:18
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1486894880 1 T 1486894880 4 T 1486894880 9 T 1486894880 12 T 1486894880 15 T 1486894880 26 T 1486894880 33 T 1486894880 37 T 1486894880 38 T 1486894880 50 T 1486894880 53 T 1486894880 2 T 1486894880 7 T 1486894880 11 T 1486894880 14 T 1486894880 19 T 1486894880 24 T 1486894880 25 T 1486894880 28 T 1486894880 42 T 1486894880 43 T 1486894880 45 T 1486894880 47 T 1486894880 3 T 1486894880 5 T 1486894880 13 T 1486894880 16 T 1486894880 35 T 1486894880 48 T 1486894880 6 T 1486894880 10 T 1486894880 17 T 1486894880 20 T 1486894880 21 T 1486894880 22 T 1486894880 23 T 1486894880 29 T 1486894880 30 T 1486894880 32 T 1486894880 34 T 1486894880 39 T 1486894880 40 T 1486894880 41 T 1486894880 44 T 1486894880 46 T 1486894880 51 T 1486894880 52 T 1486894880 8 T 1486894880 18 T 1486894880 27 T 1486894880 31 T 1486894880 36 T 1486894880 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
