Thursday, September 19 2024 20:37:37
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -617420848 1 T -617420848 4 T -617420848 9 T -617420848 11 T -617420848 15 T -617420848 26 T -617420848 33 T -617420848 37 T -617420848 38 T -617420848 50 T -617420848 53 T -617420848 2 T -617420848 8 T -617420848 12 T -617420848 14 T -617420848 19 T -617420848 24 T -617420848 25 T -617420848 28 T -617420848 41 T -617420848 43 T -617420848 46 T -617420848 47 T -617420848 3 T -617420848 5 T -617420848 13 T -617420848 16 T -617420848 35 T -617420848 48 T -617420848 6 T -617420848 10 T -617420848 17 T -617420848 20 T -617420848 21 T -617420848 22 T -617420848 23 T -617420848 29 T -617420848 30 T -617420848 31 T -617420848 34 T -617420848 39 T -617420848 40 T -617420848 42 T -617420848 44 T -617420848 45 T -617420848 51 T -617420848 52 T -617420848 7 T -617420848 18 T -617420848 27 T -617420848 32 T -617420848 36 T -617420848 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
