Sunday, September 22 2024 10:48:21
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 440545904 1 T 440545904 4 T 440545904 9 T 440545904 12 T 440545904 15 T 440545904 26 T 440545904 33 T 440545904 37 T 440545904 38 T 440545904 50 T 440545904 53 T 440545904 2 T 440545904 7 T 440545904 11 T 440545904 14 T 440545904 19 T 440545904 24 T 440545904 25 T 440545904 28 T 440545904 42 T 440545904 43 T 440545904 45 T 440545904 47 T 440545904 3 T 440545904 5 T 440545904 13 T 440545904 16 T 440545904 35 T 440545904 48 T 440545904 6 T 440545904 10 T 440545904 17 T 440545904 20 T 440545904 21 T 440545904 22 T 440545904 23 T 440545904 29 T 440545904 30 T 440545904 32 T 440545904 34 T 440545904 39 T 440545904 40 T 440545904 41 T 440545904 44 T 440545904 46 T 440545904 51 T 440545904 52 T 440545904 8 T 440545904 18 T 440545904 27 T 440545904 31 T 440545904 36 T 440545904 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
