Saturday, September 21 2024 07:35:49
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -735508848 1 T -735508848 4 T -735508848 9 T -735508848 12 T -735508848 15 T -735508848 26 T -735508848 33 T -735508848 37 T -735508848 38 T -735508848 50 T -735508848 53 T -735508848 2 T -735508848 7 T -735508848 11 T -735508848 14 T -735508848 19 T -735508848 24 T -735508848 25 T -735508848 28 T -735508848 42 T -735508848 43 T -735508848 45 T -735508848 47 T -735508848 3 T -735508848 5 T -735508848 13 T -735508848 16 T -735508848 35 T -735508848 48 T -735508848 6 T -735508848 10 T -735508848 17 T -735508848 20 T -735508848 21 T -735508848 22 T -735508848 23 T -735508848 29 T -735508848 30 T -735508848 32 T -735508848 34 T -735508848 39 T -735508848 40 T -735508848 41 T -735508848 44 T -735508848 46 T -735508848 51 T -735508848 52 T -735508848 8 T -735508848 18 T -735508848 27 T -735508848 31 T -735508848 36 T -735508848 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
