Saturday, September 21 2024 12:37:44
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0.39s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1812980816 1 T -1812980816 4 T -1812980816 9 T -1812980816 12 T -1812980816 15 T -1812980816 26 T -1812980816 33 T -1812980816 37 T -1812980816 38 T -1812980816 50 T -1812980816 53 T -1812980816 2 T -1812980816 7 T -1812980816 11 T -1812980816 14 T -1812980816 19 T -1812980816 24 T -1812980816 25 T -1812980816 28 T -1812980816 42 T -1812980816 43 T -1812980816 45 T -1812980816 47 T -1812980816 3 T -1812980816 5 T -1812980816 13 T -1812980816 16 T -1812980816 35 T -1812980816 48 T -1812980816 6 T -1812980816 10 T -1812980816 17 T -1812980816 20 T -1812980816 21 T -1812980816 22 T -1812980816 23 T -1812980816 29 T -1812980816 30 T -1812980816 32 T -1812980816 34 T -1812980816 39 T -1812980816 40 T -1812980816 41 T -1812980816 44 T -1812980816 46 T -1812980816 51 T -1812980816 52 T -1812980816 8 T -1812980816 18 T -1812980816 27 T -1812980816 31 T -1812980816 36 T -1812980816 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
