Sunday, November 03 2024 22:44:42
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 105 1 T 105 4 T 105 9 T 105 12 T 105 15 T 105 26 T 105 33 T 105 37 T 105 38 T 105 50 T 105 53 T 105 2 T 105 7 T 105 11 T 105 14 T 105 19 T 105 24 T 105 25 T 105 28 T 105 42 T 105 43 T 105 45 T 105 47 T 105 3 T 105 5 T 105 13 T 105 16 T 105 35 T 105 48 T 105 6 T 105 10 T 105 17 T 105 20 T 105 21 T 105 22 T 105 23 T 105 29 T 105 30 T 105 32 T 105 34 T 105 39 T 105 40 T 105 41 T 105 44 T 105 46 T 105 51 T 105 52 T 105 8 T 105 18 T 105 27 T 105 31 T 105 36 T 105 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
