Sunday, September 22 2024 13:27:08
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally.STOP ********** Program terminated normally. T 410153200 1 T 410153200 4 T 410153200 9 T 410153200 12 T 410153200 15 T 410153200 26 T 410153200 33 T 410153200 37 T 410153200 38 T 410153200 50 T 410153200 53 T 410153200 2 T 410153200 7 T 410153200 11 T 410153200 14 T 410153200 19 T 410153200 24 T 410153200 25 T 410153200 28 T 410153200 42 T 410153200 43 T 410153200 45 T 410153200 47 T 410153200 3 T 410153200 5 T 410153200 13 T 410153200 16 T 410153200 35 T 410153200 48 T 410153200 6 T 410153200 10 T 410153200 17 T 410153200 20 T 410153200 21 T 410153200 22 T 410153200 23 T 410153200 29 T 410153200 30 T 410153200 32 T 410153200 34 T 410153200 39 T 410153200 40 T 410153200 41 T 410153200 44 T 410153200 46 T 410153200 51 T 410153200 52 T 410153200 8 T 410153200 18 T 410153200 27 T 410153200 31 T 410153200 36 T 410153200 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
