Friday, September 27 2024 09:28:20
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -653866912 1 T -653866912 4 T -653866912 9 T -653866912 12 T -653866912 15 T -653866912 26 T -653866912 33 T -653866912 37 T -653866912 38 T -653866912 50 T -653866912 53 T -653866912 2 T -653866912 7 T -653866912 11 T -653866912 14 T -653866912 19 T -653866912 24 T -653866912 25 T -653866912 28 T -653866912 42 T -653866912 43 T -653866912 45 T -653866912 47 T -653866912 3 T -653866912 5 T -653866912 13 T -653866912 16 T -653866912 35 T -653866912 48 T -653866912 6 T -653866912 10 T -653866912 17 T -653866912 20 T -653866912 21 T -653866912 22 T -653866912 23 T -653866912 29 T -653866912 30 T -653866912 32 T -653866912 34 T -653866912 39 T -653866912 40 T -653866912 41 T -653866912 44 T -653866912 46 T -653866912 51 T -653866912 52 T -653866912 8 T -653866912 18 T -653866912 27 T -653866912 31 T -653866912 36 T -653866912 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
