Friday, September 27 2024 11:31:20
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1574872640 1 T 1574872640 4 T 1574872640 9 T 1574872640 12 T 1574872640 15 T 1574872640 26 T 1574872640 33 T 1574872640 37 T 1574872640 38 T 1574872640 50 T 1574872640 53 T 1574872640 2 T 1574872640 7 T 1574872640 11 T 1574872640 14 T 1574872640 19 T 1574872640 24 T 1574872640 25 T 1574872640 28 T 1574872640 42 T 1574872640 43 T 1574872640 45 T 1574872640 47 T 1574872640 3 T 1574872640 5 T 1574872640 13 T 1574872640 16 T 1574872640 35 T 1574872640 48 T 1574872640 6 T 1574872640 10 T 1574872640 17 T 1574872640 20 T 1574872640 21 T 1574872640 22 T 1574872640 23 T 1574872640 29 T 1574872640 30 T 1574872640 32 T 1574872640 34 T 1574872640 39 T 1574872640 40 T 1574872640 41 T 1574872640 44 T 1574872640 46 T 1574872640 51 T 1574872640 52 T 1574872640 8 T 1574872640 18 T 1574872640 27 T 1574872640 31 T 1574872640 36 T 1574872640 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
