Wednesday, September 25 2024 01:21:05
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 635807440 1 T 635807440 4 T 635807440 9 T 635807440 12 T 635807440 15 T 635807440 26 T 635807440 33 T 635807440 37 T 635807440 38 T 635807440 50 T 635807440 53 T 635807440 2 T 635807440 7 T 635807440 11 T 635807440 14 T 635807440 19 T 635807440 24 T 635807440 25 T 635807440 28 T 635807440 42 T 635807440 43 T 635807440 45 T 635807440 47 T 635807440 3 T 635807440 5 T 635807440 13 T 635807440 16 T 635807440 35 T 635807440 48 T 635807440 6 T 635807440 10 T 635807440 17 T 635807440 20 T 635807440 21 T 635807440 22 T 635807440 23 T 635807440 29 T 635807440 30 T 635807440 32 T 635807440 34 T 635807440 39 T 635807440 40 T 635807440 41 T 635807440 44 T 635807440 46 T 635807440 51 T 635807440 52 T 635807440 8 T 635807440 18 T 635807440 27 T 635807440 31 T 635807440 36 T 635807440 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
