Saturday, September 21 2024 10:38:08
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1138337968 1 T -1138337968 4 T -1138337968 9 T -1138337968 12 T -1138337968 15 T -1138337968 26 T -1138337968 33 T -1138337968 37 T -1138337968 38 T -1138337968 50 T -1138337968 53 T -1138337968 2 T -1138337968 7 T -1138337968 11 T -1138337968 14 T -1138337968 19 T -1138337968 24 T -1138337968 25 T -1138337968 28 T -1138337968 42 T -1138337968 43 T -1138337968 45 T -1138337968 47 T -1138337968 3 T -1138337968 5 T -1138337968 13 T -1138337968 16 T -1138337968 35 T -1138337968 48 T -1138337968 6 T -1138337968 10 T -1138337968 17 T -1138337968 20 T -1138337968 21 T -1138337968 22 T -1138337968 23 T -1138337968 29 T -1138337968 30 T -1138337968 32 T -1138337968 34 T -1138337968 39 T -1138337968 40 T -1138337968 41 T -1138337968 44 T -1138337968 46 T -1138337968 51 T -1138337968 52 T -1138337968 8 T -1138337968 18 T -1138337968 27 T -1138337968 31 T -1138337968 36 T -1138337968 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
