Friday, September 20 2024 07:26:13
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -79581776 1 T -79581776 4 T -79581776 9 T -79581776 11 T -79581776 15 T -79581776 26 T -79581776 33 T -79581776 37 T -79581776 38 T -79581776 50 T -79581776 53 T -79581776 2 T -79581776 8 T -79581776 12 T -79581776 14 T -79581776 19 T -79581776 24 T -79581776 25 T -79581776 28 T -79581776 41 T -79581776 43 T -79581776 46 T -79581776 47 T -79581776 3 T -79581776 5 T -79581776 13 T -79581776 16 T -79581776 35 T -79581776 48 T -79581776 6 T -79581776 10 T -79581776 17 T -79581776 20 T -79581776 21 T -79581776 22 T -79581776 23 T -79581776 29 T -79581776 30 T -79581776 31 T -79581776 34 T -79581776 39 T -79581776 40 T -79581776 42 T -79581776 44 T -79581776 45 T -79581776 51 T -79581776 52 T -79581776 7 T -79581776 18 T -79581776 27 T -79581776 32 T -79581776 36 T -79581776 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
