Friday, September 20 2024 18:41:14
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -815203280 1 T -815203280 4 T -815203280 9 T -815203280 12 T -815203280 15 T -815203280 26 T -815203280 33 T -815203280 37 T -815203280 38 T -815203280 50 T -815203280 53 T -815203280 2 T -815203280 7 T -815203280 11 T -815203280 14 T -815203280 19 T -815203280 24 T -815203280 25 T -815203280 28 T -815203280 42 T -815203280 43 T -815203280 45 T -815203280 47 T -815203280 3 T -815203280 5 T -815203280 13 T -815203280 16 T -815203280 35 T -815203280 48 T -815203280 6 T -815203280 10 T -815203280 17 T -815203280 20 T -815203280 21 T -815203280 22 T -815203280 23 T -815203280 29 T -815203280 30 T -815203280 32 T -815203280 34 T -815203280 39 T -815203280 40 T -815203280 41 T -815203280 44 T -815203280 46 T -815203280 51 T -815203280 52 T -815203280 8 T -815203280 18 T -815203280 27 T -815203280 31 T -815203280 36 T -815203280 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
