Monday, September 23 2024 16:34:10
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 148258144 1 T 148258144 4 T 148258144 9 T 148258144 12 T 148258144 15 T 148258144 26 T 148258144 33 T 148258144 37 T 148258144 38 T 148258144 50 T 148258144 53 T 148258144 2 T 148258144 7 T 148258144 11 T 148258144 14 T 148258144 19 T 148258144 24 T 148258144 25 T 148258144 28 T 148258144 42 T 148258144 43 T 148258144 45 T 148258144 47 T 148258144 3 T 148258144 5 T 148258144 13 T 148258144 16 T 148258144 35 T 148258144 48 T 148258144 6 T 148258144 10 T 148258144 17 T 148258144 20 T 148258144 21 T 148258144 22 T 148258144 23 T 148258144 29 T 148258144 30 T 148258144 32 T 148258144 34 T 148258144 39 T 148258144 40 T 148258144 41 T 148258144 44 T 148258144 46 T 148258144 51 T 148258144 52 T 148258144 8 T 148258144 18 T 148258144 27 T 148258144 31 T 148258144 36 T 148258144 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
