Sunday, September 22 2024 07:22:00
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 967145168 1 T 967145168 4 T 967145168 9 T 967145168 12 T 967145168 15 T 967145168 26 T 967145168 33 T 967145168 37 T 967145168 38 T 967145168 50 T 967145168 53 T 967145168 2 T 967145168 7 T 967145168 11 T 967145168 14 T 967145168 19 T 967145168 24 T 967145168 25 T 967145168 28 T 967145168 42 T 967145168 43 T 967145168 45 T 967145168 47 T 967145168 3 T 967145168 5 T 967145168 13 T 967145168 16 T 967145168 35 T 967145168 48 T 967145168 6 T 967145168 10 T 967145168 17 T 967145168 20 T 967145168 21 T 967145168 22 T 967145168 23 T 967145168 29 T 967145168 30 T 967145168 32 T 967145168 34 T 967145168 39 T 967145168 40 T 967145168 41 T 967145168 44 T 967145168 46 T 967145168 51 T 967145168 52 T 967145168 8 T 967145168 18 T 967145168 27 T 967145168 31 T 967145168 36 T 967145168 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
