Tuesday, September 24 2024 20:30:54
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -862602976 1 T -862602976 4 T -862602976 9 T -862602976 12 T -862602976 15 T -862602976 26 T -862602976 33 T -862602976 37 T -862602976 38 T -862602976 50 T -862602976 53 T -862602976 2 T -862602976 7 T -862602976 11 T -862602976 14 T -862602976 19 T -862602976 24 T -862602976 25 T -862602976 28 T -862602976 42 T -862602976 43 T -862602976 45 T -862602976 47 T -862602976 3 T -862602976 5 T -862602976 13 T -862602976 16 T -862602976 35 T -862602976 48 T -862602976 6 T -862602976 10 T -862602976 17 T -862602976 20 T -862602976 21 T -862602976 22 T -862602976 23 T -862602976 29 T -862602976 30 T -862602976 32 T -862602976 34 T -862602976 39 T -862602976 40 T -862602976 41 T -862602976 44 T -862602976 46 T -862602976 51 T -862602976 52 T -862602976 8 T -862602976 18 T -862602976 27 T -862602976 31 T -862602976 36 T -862602976 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
