Friday, September 20 2024 22:23:08
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0.39s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -321825968 1 T -321825968 4 T -321825968 9 T -321825968 12 T -321825968 15 T -321825968 26 T -321825968 33 T -321825968 37 T -321825968 38 T -321825968 50 T -321825968 53 T -321825968 2 T -321825968 7 T -321825968 11 T -321825968 14 T -321825968 19 T -321825968 24 T -321825968 25 T -321825968 28 T -321825968 42 T -321825968 43 T -321825968 45 T -321825968 47 T -321825968 3 T -321825968 5 T -321825968 13 T -321825968 16 T -321825968 35 T -321825968 48 T -321825968 6 T -321825968 10 T -321825968 17 T -321825968 20 T -321825968 21 T -321825968 22 T -321825968 23 T -321825968 29 T -321825968 30 T -321825968 32 T -321825968 34 T -321825968 39 T -321825968 40 T -321825968 41 T -321825968 44 T -321825968 46 T -321825968 51 T -321825968 52 T -321825968 8 T -321825968 18 T -321825968 27 T -321825968 31 T -321825968 36 T -321825968 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
