Monday, September 23 2024 17:23:30
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1674356592 1 T -1674356592 4 T -1674356592 9 T -1674356592 12 T -1674356592 15 T -1674356592 26 T -1674356592 33 T -1674356592 37 T -1674356592 38 T -1674356592 50 T -1674356592 53 T -1674356592 2 T -1674356592 7 T -1674356592 11 T -1674356592 14 T -1674356592 19 T -1674356592 24 T -1674356592 25 T -1674356592 28 T -1674356592 42 T -1674356592 43 T -1674356592 45 T -1674356592 47 T -1674356592 3 T -1674356592 5 T -1674356592 13 T -1674356592 16 T -1674356592 35 T -1674356592 48 T -1674356592 6 T -1674356592 10 T -1674356592 17 T -1674356592 20 T -1674356592 21 T -1674356592 22 T -1674356592 23 T -1674356592 29 T -1674356592 30 T -1674356592 32 T -1674356592 34 T -1674356592 39 T -1674356592 40 T -1674356592 41 T -1674356592 44 T -1674356592 46 T -1674356592 51 T -1674356592 52 T -1674356592 8 T -1674356592 18 T -1674356592 27 T -1674356592 31 T -1674356592 36 T -1674356592 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
