Saturday, September 21 2024 22:10:08
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 346612304 1 T 346612304 4 T 346612304 9 T 346612304 12 T 346612304 15 T 346612304 26 T 346612304 33 T 346612304 37 T 346612304 38 T 346612304 50 T 346612304 53 T 346612304 2 T 346612304 7 T 346612304 11 T 346612304 14 T 346612304 19 T 346612304 24 T 346612304 25 T 346612304 28 T 346612304 42 T 346612304 43 T 346612304 45 T 346612304 47 T 346612304 3 T 346612304 5 T 346612304 13 T 346612304 16 T 346612304 35 T 346612304 48 T 346612304 6 T 346612304 10 T 346612304 17 T 346612304 20 T 346612304 21 T 346612304 22 T 346612304 23 T 346612304 29 T 346612304 30 T 346612304 32 T 346612304 34 T 346612304 39 T 346612304 40 T 346612304 41 T 346612304 44 T 346612304 46 T 346612304 51 T 346612304 52 T 346612304 8 T 346612304 18 T 346612304 27 T 346612304 31 T 346612304 36 T 346612304 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
