Thursday, September 19 2024 20:32:29
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1164478992 1 T -1164478992 4 T -1164478992 9 T -1164478992 11 T -1164478992 15 T -1164478992 26 T -1164478992 33 T -1164478992 37 T -1164478992 38 T -1164478992 50 T -1164478992 53 T -1164478992 2 T -1164478992 8 T -1164478992 12 T -1164478992 14 T -1164478992 19 T -1164478992 24 T -1164478992 25 T -1164478992 28 T -1164478992 41 T -1164478992 43 T -1164478992 46 T -1164478992 47 T -1164478992 3 T -1164478992 5 T -1164478992 13 T -1164478992 16 T -1164478992 35 T -1164478992 48 T -1164478992 6 T -1164478992 10 T -1164478992 17 T -1164478992 20 T -1164478992 21 T -1164478992 22 T -1164478992 23 T -1164478992 29 T -1164478992 30 T -1164478992 31 T -1164478992 34 T -1164478992 39 T -1164478992 40 T -1164478992 42 T -1164478992 44 T -1164478992 45 T -1164478992 51 T -1164478992 52 T -1164478992 7 T -1164478992 18 T -1164478992 27 T -1164478992 32 T -1164478992 36 T -1164478992 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
