Saturday, September 21 2024 20:05:10
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 507471552 1 T 507471552 4 T 507471552 9 T 507471552 12 T 507471552 15 T 507471552 26 T 507471552 33 T 507471552 37 T 507471552 38 T 507471552 50 T 507471552 53 T 507471552 2 T 507471552 7 T 507471552 11 T 507471552 14 T 507471552 19 T 507471552 24 T 507471552 25 T 507471552 28 T 507471552 42 T 507471552 43 T 507471552 45 T 507471552 47 T 507471552 3 T 507471552 5 T 507471552 13 T 507471552 16 T 507471552 35 T 507471552 48 T 507471552 6 T 507471552 10 T 507471552 17 T 507471552 20 T 507471552 21 T 507471552 22 T 507471552 23 T 507471552 29 T 507471552 30 T 507471552 32 T 507471552 34 T 507471552 39 T 507471552 40 T 507471552 41 T 507471552 44 T 507471552 46 T 507471552 51 T 507471552 52 T 507471552 8 T 507471552 18 T 507471552 27 T 507471552 31 T 507471552 36 T 507471552 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
