Monday, September 23 2024 08:33:22
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -534912784 1 T -534912784 4 T -534912784 9 T -534912784 12 T -534912784 15 T -534912784 26 T -534912784 33 T -534912784 37 T -534912784 38 T -534912784 50 T -534912784 53 T -534912784 2 T -534912784 7 T -534912784 11 T -534912784 14 T -534912784 19 T -534912784 24 T -534912784 25 T -534912784 28 T -534912784 42 T -534912784 43 T -534912784 45 T -534912784 47 T -534912784 3 T -534912784 5 T -534912784 13 T -534912784 16 T -534912784 35 T -534912784 48 T -534912784 6 T -534912784 10 T -534912784 17 T -534912784 20 T -534912784 21 T -534912784 22 T -534912784 23 T -534912784 29 T -534912784 30 T -534912784 32 T -534912784 34 T -534912784 39 T -534912784 40 T -534912784 41 T -534912784 44 T -534912784 46 T -534912784 51 T -534912784 52 T -534912784 8 T -534912784 18 T -534912784 27 T -534912784 31 T -534912784 36 T -534912784 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
