Wednesday, September 25 2024 03:32:29
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 50918896 1 T 50918896 4 T 50918896 9 T 50918896 12 T 50918896 15 T 50918896 26 T 50918896 33 T 50918896 37 T 50918896 38 T 50918896 50 T 50918896 53 T 50918896 2 T 50918896 7 T 50918896 11 T 50918896 14 T 50918896 19 T 50918896 24 T 50918896 25 T 50918896 28 T 50918896 42 T 50918896 43 T 50918896 45 T 50918896 47 T 50918896 3 T 50918896 5 T 50918896 13 T 50918896 16 T 50918896 35 T 50918896 48 T 50918896 6 T 50918896 10 T 50918896 17 T 50918896 20 T 50918896 21 T 50918896 22 T 50918896 23 T 50918896 29 T 50918896 30 T 50918896 32 T 50918896 34 T 50918896 39 T 50918896 40 T 50918896 41 T 50918896 44 T 50918896 46 T 50918896 51 T 50918896 52 T 50918896 8 T 50918896 18 T 50918896 27 T 50918896 31 T 50918896 36 T 50918896 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
