Saturday, September 21 2024 19:59:58
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 430443776 1 T 430443776 4 T 430443776 9 T 430443776 12 T 430443776 15 T 430443776 26 T 430443776 33 T 430443776 37 T 430443776 38 T 430443776 50 T 430443776 53 T 430443776 2 T 430443776 7 T 430443776 11 T 430443776 14 T 430443776 19 T 430443776 24 T 430443776 25 T 430443776 28 T 430443776 42 T 430443776 43 T 430443776 45 T 430443776 47 T 430443776 3 T 430443776 5 T 430443776 13 T 430443776 16 T 430443776 35 T 430443776 48 T 430443776 6 T 430443776 10 T 430443776 17 T 430443776 20 T 430443776 21 T 430443776 22 T 430443776 23 T 430443776 29 T 430443776 30 T 430443776 32 T 430443776 34 T 430443776 39 T 430443776 40 T 430443776 41 T 430443776 44 T 430443776 46 T 430443776 51 T 430443776 52 T 430443776 8 T 430443776 18 T 430443776 27 T 430443776 31 T 430443776 36 T 430443776 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
