Tuesday, September 24 2024 23:22:14
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1914870352 1 T -1914870352 4 T -1914870352 9 T -1914870352 12 T -1914870352 15 T -1914870352 26 T -1914870352 33 T -1914870352 37 T -1914870352 38 T -1914870352 50 T -1914870352 53 T -1914870352 2 T -1914870352 7 T -1914870352 11 T -1914870352 14 T -1914870352 19 T -1914870352 24 T -1914870352 25 T -1914870352 28 T -1914870352 42 T -1914870352 43 T -1914870352 45 T -1914870352 47 T -1914870352 3 T -1914870352 5 T -1914870352 13 T -1914870352 16 T -1914870352 35 T -1914870352 48 T -1914870352 6 T -1914870352 10 T -1914870352 17 T -1914870352 20 T -1914870352 21 T -1914870352 22 T -1914870352 23 T -1914870352 29 T -1914870352 30 T -1914870352 32 T -1914870352 34 T -1914870352 39 T -1914870352 40 T -1914870352 41 T -1914870352 44 T -1914870352 46 T -1914870352 51 T -1914870352 52 T -1914870352 8 T -1914870352 18 T -1914870352 27 T -1914870352 31 T -1914870352 36 T -1914870352 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
