Thursday, September 26 2024 23:52:25
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1748469088 1 T 1748469088 4 T 1748469088 9 T 1748469088 12 T 1748469088 15 T 1748469088 26 T 1748469088 33 T 1748469088 37 T 1748469088 38 T 1748469088 50 T 1748469088 53 T 1748469088 2 T 1748469088 7 T 1748469088 11 T 1748469088 14 T 1748469088 19 T 1748469088 24 T 1748469088 25 T 1748469088 28 T 1748469088 42 T 1748469088 43 T 1748469088 45 T 1748469088 47 T 1748469088 3 T 1748469088 5 T 1748469088 13 T 1748469088 16 T 1748469088 35 T 1748469088 48 T 1748469088 6 T 1748469088 10 T 1748469088 17 T 1748469088 20 T 1748469088 21 T 1748469088 22 T 1748469088 23 T 1748469088 29 T 1748469088 30 T 1748469088 32 T 1748469088 34 T 1748469088 39 T 1748469088 40 T 1748469088 41 T 1748469088 44 T 1748469088 46 T 1748469088 51 T 1748469088 52 T 1748469088 8 T 1748469088 18 T 1748469088 27 T 1748469088 31 T 1748469088 36 T 1748469088 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
