Tuesday, September 24 2024 04:23:38
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 578841408 1 T 578841408 4 T 578841408 9 T 578841408 12 T 578841408 15 T 578841408 26 T 578841408 33 T 578841408 37 T 578841408 38 T 578841408 50 T 578841408 53 T 578841408 2 T 578841408 7 T 578841408 11 T 578841408 14 T 578841408 19 T 578841408 24 T 578841408 25 T 578841408 28 T 578841408 42 T 578841408 43 T 578841408 45 T 578841408 47 T 578841408 3 T 578841408 5 T 578841408 13 T 578841408 16 T 578841408 35 T 578841408 48 T 578841408 6 T 578841408 10 T 578841408 17 T 578841408 20 T 578841408 21 T 578841408 22 T 578841408 23 T 578841408 29 T 578841408 30 T 578841408 32 T 578841408 34 T 578841408 39 T 578841408 40 T 578841408 41 T 578841408 44 T 578841408 46 T 578841408 51 T 578841408 52 T 578841408 8 T 578841408 18 T 578841408 27 T 578841408 31 T 578841408 36 T 578841408 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
