Monday, September 23 2024 05:25:40
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 783810736 1 T 783810736 4 T 783810736 9 T 783810736 12 T 783810736 15 T 783810736 26 T 783810736 33 T 783810736 37 T 783810736 38 T 783810736 50 T 783810736 53 T 783810736 2 T 783810736 7 T 783810736 11 T 783810736 14 T 783810736 19 T 783810736 24 T 783810736 25 T 783810736 28 T 783810736 42 T 783810736 43 T 783810736 45 T 783810736 47 T 783810736 3 T 783810736 5 T 783810736 13 T 783810736 16 T 783810736 35 T 783810736 48 T 783810736 6 T 783810736 10 T 783810736 17 T 783810736 20 T 783810736 21 T 783810736 22 T 783810736 23 T 783810736 29 T 783810736 30 T 783810736 32 T 783810736 34 T 783810736 39 T 783810736 40 T 783810736 41 T 783810736 44 T 783810736 46 T 783810736 51 T 783810736 52 T 783810736 8 T 783810736 18 T 783810736 27 T 783810736 31 T 783810736 36 T 783810736 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
