Saturday, September 21 2024 13:07:35
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 513196496 1 T 513196496 4 T 513196496 9 T 513196496 12 T 513196496 15 T 513196496 26 T 513196496 33 T 513196496 37 T 513196496 38 T 513196496 50 T 513196496 53 T 513196496 2 T 513196496 7 T 513196496 11 T 513196496 14 T 513196496 19 T 513196496 24 T 513196496 25 T 513196496 28 T 513196496 42 T 513196496 43 T 513196496 45 T 513196496 47 T 513196496 3 T 513196496 5 T 513196496 13 T 513196496 16 T 513196496 35 T 513196496 48 T 513196496 6 T 513196496 10 T 513196496 17 T 513196496 20 T 513196496 21 T 513196496 22 T 513196496 23 T 513196496 29 T 513196496 30 T 513196496 32 T 513196496 34 T 513196496 39 T 513196496 40 T 513196496 41 T 513196496 44 T 513196496 46 T 513196496 51 T 513196496 52 T 513196496 8 T 513196496 18 T 513196496 27 T 513196496 31 T 513196496 36 T 513196496 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
