Monday, September 23 2024 03:32:59
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 777560624 1 T 777560624 4 T 777560624 9 T 777560624 12 T 777560624 15 T 777560624 26 T 777560624 33 T 777560624 37 T 777560624 38 T 777560624 50 T 777560624 53 T 777560624 2 T 777560624 7 T 777560624 11 T 777560624 14 T 777560624 19 T 777560624 24 T 777560624 25 T 777560624 28 T 777560624 42 T 777560624 43 T 777560624 45 T 777560624 47 T 777560624 3 T 777560624 5 T 777560624 13 T 777560624 16 T 777560624 35 T 777560624 48 T 777560624 6 T 777560624 10 T 777560624 17 T 777560624 20 T 777560624 21 T 777560624 22 T 777560624 23 T 777560624 29 T 777560624 30 T 777560624 32 T 777560624 34 T 777560624 39 T 777560624 40 T 777560624 41 T 777560624 44 T 777560624 46 T 777560624 51 T 777560624 52 T 777560624 8 T 777560624 18 T 777560624 27 T 777560624 31 T 777560624 36 T 777560624 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
