Monday, September 23 2024 14:17:00
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 620405632 1 T 620405632 4 T 620405632 9 T 620405632 12 T 620405632 15 T 620405632 26 T 620405632 33 T 620405632 37 T 620405632 38 T 620405632 50 T 620405632 53 T 620405632 2 T 620405632 7 T 620405632 11 T 620405632 14 T 620405632 19 T 620405632 24 T 620405632 25 T 620405632 28 T 620405632 42 T 620405632 43 T 620405632 45 T 620405632 47 T 620405632 3 T 620405632 5 T 620405632 13 T 620405632 16 T 620405632 35 T 620405632 48 T 620405632 6 T 620405632 10 T 620405632 17 T 620405632 20 T 620405632 21 T 620405632 22 T 620405632 23 T 620405632 29 T 620405632 30 T 620405632 32 T 620405632 34 T 620405632 39 T 620405632 40 T 620405632 41 T 620405632 44 T 620405632 46 T 620405632 51 T 620405632 52 T 620405632 8 T 620405632 18 T 620405632 27 T 620405632 31 T 620405632 36 T 620405632 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
