Sunday, September 22 2024 06:42:02
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1.33s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -383410288 1 T -383410288 4 T -383410288 9 T -383410288 12 T -383410288 15 T -383410288 26 T -383410288 33 T -383410288 37 T -383410288 38 T -383410288 50 T -383410288 53 T -383410288 2 T -383410288 7 T -383410288 11 T -383410288 14 T -383410288 19 T -383410288 24 T -383410288 25 T -383410288 28 T -383410288 42 T -383410288 43 T -383410288 45 T -383410288 47 T -383410288 3 T -383410288 5 T -383410288 13 T -383410288 16 T -383410288 35 T -383410288 48 T -383410288 6 T -383410288 10 T -383410288 17 T -383410288 20 T -383410288 21 T -383410288 22 T -383410288 23 T -383410288 29 T -383410288 30 T -383410288 32 T -383410288 34 T -383410288 39 T -383410288 40 T -383410288 41 T -383410288 44 T -383410288 46 T -383410288 51 T -383410288 52 T -383410288 8 T -383410288 18 T -383410288 27 T -383410288 31 T -383410288 36 T -383410288 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
