Wednesday, September 25 2024 21:22:54
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 545980224 1 T 545980224 4 T 545980224 9 T 545980224 12 T 545980224 15 T 545980224 26 T 545980224 33 T 545980224 37 T 545980224 38 T 545980224 50 T 545980224 53 T 545980224 2 T 545980224 7 T 545980224 11 T 545980224 14 T 545980224 19 T 545980224 24 T 545980224 25 T 545980224 28 T 545980224 42 T 545980224 43 T 545980224 45 T 545980224 47 T 545980224 3 T 545980224 5 T 545980224 13 T 545980224 16 T 545980224 35 T 545980224 48 T 545980224 6 T 545980224 10 T 545980224 17 T 545980224 20 T 545980224 21 T 545980224 22 T 545980224 23 T 545980224 29 T 545980224 30 T 545980224 32 T 545980224 34 T 545980224 39 T 545980224 40 T 545980224 41 T 545980224 44 T 545980224 46 T 545980224 51 T 545980224 52 T 545980224 8 T 545980224 18 T 545980224 27 T 545980224 31 T 545980224 36 T 545980224 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
