Tuesday, September 24 2024 05:21:13
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0.53s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1325095072 1 T -1325095072 4 T -1325095072 9 T -1325095072 12 T -1325095072 15 T -1325095072 26 T -1325095072 33 T -1325095072 37 T -1325095072 38 T -1325095072 50 T -1325095072 53 T -1325095072 2 T -1325095072 7 T -1325095072 11 T -1325095072 14 T -1325095072 19 T -1325095072 24 T -1325095072 25 T -1325095072 28 T -1325095072 42 T -1325095072 43 T -1325095072 45 T -1325095072 47 T -1325095072 3 T -1325095072 5 T -1325095072 13 T -1325095072 16 T -1325095072 35 T -1325095072 48 T -1325095072 6 T -1325095072 10 T -1325095072 17 T -1325095072 20 T -1325095072 21 T -1325095072 22 T -1325095072 23 T -1325095072 29 T -1325095072 30 T -1325095072 32 T -1325095072 34 T -1325095072 39 T -1325095072 40 T -1325095072 41 T -1325095072 44 T -1325095072 46 T -1325095072 51 T -1325095072 52 T -1325095072 8 T -1325095072 18 T -1325095072 27 T -1325095072 31 T -1325095072 36 T -1325095072 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
