Tuesday, September 24 2024 10:33:26
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 749840480 1 T 749840480 4 T 749840480 9 T 749840480 12 T 749840480 15 T 749840480 26 T 749840480 33 T 749840480 37 T 749840480 38 T 749840480 50 T 749840480 53 T 749840480 2 T 749840480 7 T 749840480 11 T 749840480 14 T 749840480 19 T 749840480 24 T 749840480 25 T 749840480 28 T 749840480 42 T 749840480 43 T 749840480 45 T 749840480 47 T 749840480 3 T 749840480 5 T 749840480 13 T 749840480 16 T 749840480 35 T 749840480 48 T 749840480 6 T 749840480 10 T 749840480 17 T 749840480 20 T 749840480 21 T 749840480 22 T 749840480 23 T 749840480 29 T 749840480 30 T 749840480 32 T 749840480 34 T 749840480 39 T 749840480 40 T 749840480 41 T 749840480 44 T 749840480 46 T 749840480 51 T 749840480 52 T 749840480 8 T 749840480 18 T 749840480 27 T 749840480 31 T 749840480 36 T 749840480 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
