Friday, September 20 2024 10:56:02
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -1129040480 1 T -1129040480 4 T -1129040480 9 T -1129040480 11 T -1129040480 15 T -1129040480 26 T -1129040480 33 T -1129040480 37 T -1129040480 38 T -1129040480 50 T -1129040480 53 T -1129040480 2 T -1129040480 8 T -1129040480 12 T -1129040480 14 T -1129040480 19 T -1129040480 24 T -1129040480 25 T -1129040480 28 T -1129040480 41 T -1129040480 43 T -1129040480 46 T -1129040480 47 T -1129040480 3 T -1129040480 5 T -1129040480 13 T -1129040480 16 T -1129040480 35 T -1129040480 48 T -1129040480 6 T -1129040480 10 T -1129040480 17 T -1129040480 20 T -1129040480 21 T -1129040480 22 T -1129040480 23 T -1129040480 29 T -1129040480 30 T -1129040480 31 T -1129040480 34 T -1129040480 39 T -1129040480 40 T -1129040480 42 T -1129040480 44 T -1129040480 45 T -1129040480 51 T -1129040480 52 T -1129040480 7 T -1129040480 18 T -1129040480 27 T -1129040480 32 T -1129040480 36 T -1129040480 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
