Sunday, September 22 2024 22:34:52
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1408095728 1 T 1408095728 4 T 1408095728 9 T 1408095728 12 T 1408095728 15 T 1408095728 26 T 1408095728 33 T 1408095728 37 T 1408095728 38 T 1408095728 50 T 1408095728 53 T 1408095728 2 T 1408095728 7 T 1408095728 11 T 1408095728 14 T 1408095728 19 T 1408095728 24 T 1408095728 25 T 1408095728 28 T 1408095728 42 T 1408095728 43 T 1408095728 45 T 1408095728 47 T 1408095728 3 T 1408095728 5 T 1408095728 13 T 1408095728 16 T 1408095728 35 T 1408095728 48 T 1408095728 6 T 1408095728 10 T 1408095728 17 T 1408095728 20 T 1408095728 21 T 1408095728 22 T 1408095728 23 T 1408095728 29 T 1408095728 30 T 1408095728 32 T 1408095728 34 T 1408095728 39 T 1408095728 40 T 1408095728 41 T 1408095728 44 T 1408095728 46 T 1408095728 51 T 1408095728 52 T 1408095728 8 T 1408095728 18 T 1408095728 27 T 1408095728 31 T 1408095728 36 T 1408095728 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
