Friday, September 20 2024 04:38:06
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 595077104 1 T 595077104 4 T 595077104 9 T 595077104 11 T 595077104 15 T 595077104 26 T 595077104 33 T 595077104 37 T 595077104 38 T 595077104 50 T 595077104 53 T 595077104 2 T 595077104 8 T 595077104 12 T 595077104 14 T 595077104 19 T 595077104 24 T 595077104 25 T 595077104 28 T 595077104 41 T 595077104 43 T 595077104 46 T 595077104 47 T 595077104 3 T 595077104 5 T 595077104 13 T 595077104 16 T 595077104 35 T 595077104 48 T 595077104 6 T 595077104 10 T 595077104 17 T 595077104 20 T 595077104 21 T 595077104 22 T 595077104 23 T 595077104 29 T 595077104 30 T 595077104 31 T 595077104 34 T 595077104 39 T 595077104 40 T 595077104 42 T 595077104 44 T 595077104 45 T 595077104 51 T 595077104 52 T 595077104 7 T 595077104 18 T 595077104 27 T 595077104 32 T 595077104 36 T 595077104 49 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.87926E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00239E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.50972E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.85452E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.58551E+00 AVE RMSD 4.72 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.94537E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.78127E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.36579E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.34186E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.61895E+00 RMS 3.96
