Wednesday, September 25 2024 23:22:08
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 69376848 1 T 69376848 4 T 69376848 9 T 69376848 12 T 69376848 15 T 69376848 26 T 69376848 33 T 69376848 37 T 69376848 38 T 69376848 50 T 69376848 53 T 69376848 2 T 69376848 7 T 69376848 11 T 69376848 14 T 69376848 19 T 69376848 24 T 69376848 25 T 69376848 28 T 69376848 42 T 69376848 43 T 69376848 45 T 69376848 47 T 69376848 3 T 69376848 5 T 69376848 13 T 69376848 16 T 69376848 35 T 69376848 48 T 69376848 6 T 69376848 10 T 69376848 17 T 69376848 20 T 69376848 21 T 69376848 22 T 69376848 23 T 69376848 29 T 69376848 30 T 69376848 32 T 69376848 34 T 69376848 39 T 69376848 40 T 69376848 41 T 69376848 44 T 69376848 46 T 69376848 51 T 69376848 52 T 69376848 8 T 69376848 18 T 69376848 27 T 69376848 31 T 69376848 36 T 69376848 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
