Tuesday, September 24 2024 21:25:14
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 757584368 1 T 757584368 4 T 757584368 9 T 757584368 12 T 757584368 15 T 757584368 26 T 757584368 33 T 757584368 37 T 757584368 38 T 757584368 50 T 757584368 53 T 757584368 2 T 757584368 7 T 757584368 11 T 757584368 14 T 757584368 19 T 757584368 24 T 757584368 25 T 757584368 28 T 757584368 42 T 757584368 43 T 757584368 45 T 757584368 47 T 757584368 3 T 757584368 5 T 757584368 13 T 757584368 16 T 757584368 35 T 757584368 48 T 757584368 6 T 757584368 10 T 757584368 17 T 757584368 20 T 757584368 21 T 757584368 22 T 757584368 23 T 757584368 29 T 757584368 30 T 757584368 32 T 757584368 34 T 757584368 39 T 757584368 40 T 757584368 41 T 757584368 44 T 757584368 46 T 757584368 51 T 757584368 52 T 757584368 8 T 757584368 18 T 757584368 27 T 757584368 31 T 757584368 36 T 757584368 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
