Wednesday, September 25 2024 08:31:28
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 16526944 1 T 16526944 4 T 16526944 9 T 16526944 12 T 16526944 15 T 16526944 26 T 16526944 33 T 16526944 37 T 16526944 38 T 16526944 50 T 16526944 53 T 16526944 2 T 16526944 7 T 16526944 11 T 16526944 14 T 16526944 19 T 16526944 24 T 16526944 25 T 16526944 28 T 16526944 42 T 16526944 43 T 16526944 45 T 16526944 47 T 16526944 3 T 16526944 5 T 16526944 13 T 16526944 16 T 16526944 35 T 16526944 48 T 16526944 6 T 16526944 10 T 16526944 17 T 16526944 20 T 16526944 21 T 16526944 22 T 16526944 23 T 16526944 29 T 16526944 30 T 16526944 32 T 16526944 34 T 16526944 39 T 16526944 40 T 16526944 41 T 16526944 44 T 16526944 46 T 16526944 51 T 16526944 52 T 16526944 8 T 16526944 18 T 16526944 27 T 16526944 31 T 16526944 36 T 16526944 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
