Wednesday, September 25 2024 14:37:09
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1851823104 1 T 1851823104 4 T 1851823104 9 T 1851823104 12 T 1851823104 15 T 1851823104 26 T 1851823104 33 T 1851823104 37 T 1851823104 38 T 1851823104 50 T 1851823104 53 T 1851823104 2 T 1851823104 7 T 1851823104 11 T 1851823104 14 T 1851823104 19 T 1851823104 24 T 1851823104 25 T 1851823104 28 T 1851823104 42 T 1851823104 43 T 1851823104 45 T 1851823104 47 T 1851823104 3 T 1851823104 5 T 1851823104 13 T 1851823104 16 T 1851823104 35 T 1851823104 48 T 1851823104 6 T 1851823104 10 T 1851823104 17 T 1851823104 20 T 1851823104 21 T 1851823104 22 T 1851823104 23 T 1851823104 29 T 1851823104 30 T 1851823104 32 T 1851823104 34 T 1851823104 39 T 1851823104 40 T 1851823104 41 T 1851823104 44 T 1851823104 46 T 1851823104 51 T 1851823104 52 T 1851823104 8 T 1851823104 18 T 1851823104 27 T 1851823104 31 T 1851823104 36 T 1851823104 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
