Saturday, September 21 2024 19:34:21
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1250170896 1 T 1250170896 4 T 1250170896 9 T 1250170896 12 T 1250170896 15 T 1250170896 26 T 1250170896 33 T 1250170896 37 T 1250170896 38 T 1250170896 50 T 1250170896 53 T 1250170896 2 T 1250170896 7 T 1250170896 11 T 1250170896 14 T 1250170896 19 T 1250170896 24 T 1250170896 25 T 1250170896 28 T 1250170896 42 T 1250170896 43 T 1250170896 45 T 1250170896 47 T 1250170896 3 T 1250170896 5 T 1250170896 13 T 1250170896 16 T 1250170896 35 T 1250170896 48 T 1250170896 6 T 1250170896 10 T 1250170896 17 T 1250170896 20 T 1250170896 21 T 1250170896 22 T 1250170896 23 T 1250170896 29 T 1250170896 30 T 1250170896 32 T 1250170896 34 T 1250170896 39 T 1250170896 40 T 1250170896 41 T 1250170896 44 T 1250170896 46 T 1250170896 51 T 1250170896 52 T 1250170896 8 T 1250170896 18 T 1250170896 27 T 1250170896 31 T 1250170896 36 T 1250170896 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
