Saturday, September 21 2024 08:33:11
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1863846464 1 T 1863846464 4 T 1863846464 9 T 1863846464 12 T 1863846464 15 T 1863846464 26 T 1863846464 33 T 1863846464 37 T 1863846464 38 T 1863846464 50 T 1863846464 53 T 1863846464 2 T 1863846464 7 T 1863846464 11 T 1863846464 14 T 1863846464 19 T 1863846464 24 T 1863846464 25 T 1863846464 28 T 1863846464 42 T 1863846464 43 T 1863846464 45 T 1863846464 47 T 1863846464 3 T 1863846464 5 T 1863846464 13 T 1863846464 16 T 1863846464 35 T 1863846464 48 T 1863846464 6 T 1863846464 10 T 1863846464 17 T 1863846464 20 T 1863846464 21 T 1863846464 22 T 1863846464 23 T 1863846464 29 T 1863846464 30 T 1863846464 32 T 1863846464 34 T 1863846464 39 T 1863846464 40 T 1863846464 41 T 1863846464 44 T 1863846464 46 T 1863846464 51 T 1863846464 52 T 1863846464 8 T 1863846464 18 T 1863846464 27 T 1863846464 31 T 1863846464 36 T 1863846464 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
