Friday, September 20 2024 00:48:04
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1584983808 1 T -1584983808 4 T -1584983808 9 T -1584983808 11 T -1584983808 15 T -1584983808 26 T -1584983808 33 T -1584983808 37 T -1584983808 38 T -1584983808 50 T -1584983808 53 T -1584983808 2 T -1584983808 8 T -1584983808 12 T -1584983808 14 T -1584983808 19 T -1584983808 24 T -1584983808 25 T -1584983808 28 T -1584983808 41 T -1584983808 43 T -1584983808 46 T -1584983808 47 T -1584983808 3 T -1584983808 5 T -1584983808 13 T -1584983808 16 T -1584983808 35 T -1584983808 48 T -1584983808 6 T -1584983808 10 T -1584983808 17 T -1584983808 20 T -1584983808 21 T -1584983808 22 T -1584983808 23 T -1584983808 29 T -1584983808 30 T -1584983808 31 T -1584983808 34 T -1584983808 39 T -1584983808 40 T -1584983808 42 T -1584983808 44 T -1584983808 45 T -1584983808 51 T -1584983808 52 T -1584983808 7 T -1584983808 18 T -1584983808 27 T -1584983808 32 T -1584983808 36 T -1584983808 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
