Monday, September 23 2024 00:22:44
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -84279952 1 T -84279952 4 T -84279952 9 T -84279952 12 T -84279952 15 T -84279952 26 T -84279952 33 T -84279952 37 T -84279952 38 T -84279952 50 T -84279952 53 T -84279952 2 T -84279952 7 T -84279952 11 T -84279952 14 T -84279952 19 T -84279952 24 T -84279952 25 T -84279952 28 T -84279952 42 T -84279952 43 T -84279952 45 T -84279952 47 T -84279952 3 T -84279952 5 T -84279952 13 T -84279952 16 T -84279952 35 T -84279952 48 T -84279952 6 T -84279952 10 T -84279952 17 T -84279952 20 T -84279952 21 T -84279952 22 T -84279952 23 T -84279952 29 T -84279952 30 T -84279952 32 T -84279952 34 T -84279952 39 T -84279952 40 T -84279952 41 T -84279952 44 T -84279952 46 T -84279952 51 T -84279952 52 T -84279952 8 T -84279952 18 T -84279952 27 T -84279952 31 T -84279952 36 T -84279952 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
