Sunday, September 22 2024 11:23:08
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1682537072 1 T 1682537072 4 T 1682537072 9 T 1682537072 12 T 1682537072 15 T 1682537072 26 T 1682537072 33 T 1682537072 37 T 1682537072 38 T 1682537072 50 T 1682537072 53 T 1682537072 2 T 1682537072 7 T 1682537072 11 T 1682537072 14 T 1682537072 19 T 1682537072 24 T 1682537072 25 T 1682537072 28 T 1682537072 42 T 1682537072 43 T 1682537072 45 T 1682537072 47 T 1682537072 3 T 1682537072 5 T 1682537072 13 T 1682537072 16 T 1682537072 35 T 1682537072 48 T 1682537072 6 T 1682537072 10 T 1682537072 17 T 1682537072 20 T 1682537072 21 T 1682537072 22 T 1682537072 23 T 1682537072 29 T 1682537072 30 T 1682537072 32 T 1682537072 34 T 1682537072 39 T 1682537072 40 T 1682537072 41 T 1682537072 44 T 1682537072 46 T 1682537072 51 T 1682537072 52 T 1682537072 8 T 1682537072 18 T 1682537072 27 T 1682537072 31 T 1682537072 36 T 1682537072 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
