Wednesday, September 25 2024 09:26:55
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 933457584 1 T 933457584 4 T 933457584 9 T 933457584 12 T 933457584 15 T 933457584 26 T 933457584 33 T 933457584 37 T 933457584 38 T 933457584 50 T 933457584 53 T 933457584 2 T 933457584 7 T 933457584 11 T 933457584 14 T 933457584 19 T 933457584 24 T 933457584 25 T 933457584 28 T 933457584 42 T 933457584 43 T 933457584 45 T 933457584 47 T 933457584 3 T 933457584 5 T 933457584 13 T 933457584 16 T 933457584 35 T 933457584 48 T 933457584 6 T 933457584 10 T 933457584 17 T 933457584 20 T 933457584 21 T 933457584 22 T 933457584 23 T 933457584 29 T 933457584 30 T 933457584 32 T 933457584 34 T 933457584 39 T 933457584 40 T 933457584 41 T 933457584 44 T 933457584 46 T 933457584 51 T 933457584 52 T 933457584 8 T 933457584 18 T 933457584 27 T 933457584 31 T 933457584 36 T 933457584 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
