Tuesday, September 24 2024 22:34:40
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 580848 1 T 580848 4 T 580848 9 T 580848 12 T 580848 15 T 580848 26 T 580848 33 T 580848 37 T 580848 38 T 580848 50 T 580848 53 T 580848 2 T 580848 7 T 580848 11 T 580848 14 T 580848 19 T 580848 24 T 580848 25 T 580848 28 T 580848 42 T 580848 43 T 580848 45 T 580848 47 T 580848 3 T 580848 5 T 580848 13 T 580848 16 T 580848 35 T 580848 48 T 580848 6 T 580848 10 T 580848 17 T 580848 20 T 580848 21 T 580848 22 T 580848 23 T 580848 29 T 580848 30 T 580848 32 T 580848 34 T 580848 39 T 580848 40 T 580848 41 T 580848 44 T 580848 46 T 580848 51 T 580848 52 T 580848 8 T 580848 18 T 580848 27 T 580848 31 T 580848 36 T 580848 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
