Friday, September 20 2024 22:33:16
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -366104592 1 T -366104592 4 T -366104592 9 T -366104592 12 T -366104592 15 T -366104592 26 T -366104592 33 T -366104592 37 T -366104592 38 T -366104592 50 T -366104592 53 T -366104592 2 T -366104592 7 T -366104592 11 T -366104592 14 T -366104592 19 T -366104592 24 T -366104592 25 T -366104592 28 T -366104592 42 T -366104592 43 T -366104592 45 T -366104592 47 T -366104592 3 T -366104592 5 T -366104592 13 T -366104592 16 T -366104592 35 T -366104592 48 T -366104592 6 T -366104592 10 T -366104592 17 T -366104592 20 T -366104592 21 T -366104592 22 T -366104592 23 T -366104592 29 T -366104592 30 T -366104592 32 T -366104592 34 T -366104592 39 T -366104592 40 T -366104592 41 T -366104592 44 T -366104592 46 T -366104592 51 T -366104592 52 T -366104592 8 T -366104592 18 T -366104592 27 T -366104592 31 T -366104592 36 T -366104592 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
