Friday, September 20 2024 20:45:26
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -602366608 1 T -602366608 4 T -602366608 9 T -602366608 12 T -602366608 15 T -602366608 26 T -602366608 33 T -602366608 37 T -602366608 38 T -602366608 50 T -602366608 53 T -602366608 2 T -602366608 7 T -602366608 11 T -602366608 14 T -602366608 19 T -602366608 24 T -602366608 25 T -602366608 28 T -602366608 42 T -602366608 43 T -602366608 45 T -602366608 47 T -602366608 3 T -602366608 5 T -602366608 13 T -602366608 16 T -602366608 35 T -602366608 48 T -602366608 6 T -602366608 10 T -602366608 17 T -602366608 20 T -602366608 21 T -602366608 22 T -602366608 23 T -602366608 29 T -602366608 30 T -602366608 32 T -602366608 34 T -602366608 39 T -602366608 40 T -602366608 41 T -602366608 44 T -602366608 46 T -602366608 51 T -602366608 52 T -602366608 8 T -602366608 18 T -602366608 27 T -602366608 31 T -602366608 36 T -602366608 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
