Friday, September 20 2024 15:45:30
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -686913536 1 T -686913536 4 T -686913536 9 T -686913536 12 T -686913536 15 T -686913536 26 T -686913536 33 T -686913536 37 T -686913536 38 T -686913536 50 T -686913536 53 T -686913536 2 T -686913536 7 T -686913536 11 T -686913536 14 T -686913536 19 T -686913536 24 T -686913536 25 T -686913536 28 T -686913536 42 T -686913536 43 T -686913536 45 T -686913536 47 T -686913536 3 T -686913536 5 T -686913536 13 T -686913536 16 T -686913536 35 T -686913536 48 T -686913536 6 T -686913536 10 T -686913536 17 T -686913536 20 T -686913536 21 T -686913536 22 T -686913536 23 T -686913536 29 T -686913536 30 T -686913536 32 T -686913536 34 T -686913536 39 T -686913536 40 T -686913536 41 T -686913536 44 T -686913536 46 T -686913536 51 T -686913536 52 T -686913536 8 T -686913536 18 T -686913536 27 T -686913536 31 T -686913536 36 T -686913536 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
