Friday, September 20 2024 06:34:26
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0.49s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -335064320 1 T -335064320 4 T -335064320 9 T -335064320 11 T -335064320 15 T -335064320 26 T -335064320 33 T -335064320 37 T -335064320 38 T -335064320 50 T -335064320 53 T -335064320 2 T -335064320 8 T -335064320 12 T -335064320 14 T -335064320 19 T -335064320 24 T -335064320 25 T -335064320 28 T -335064320 41 T -335064320 43 T -335064320 46 T -335064320 47 T -335064320 3 T -335064320 5 T -335064320 13 T -335064320 16 T -335064320 35 T -335064320 48 T -335064320 6 T -335064320 10 T -335064320 17 T -335064320 20 T -335064320 21 T -335064320 22 T -335064320 23 T -335064320 29 T -335064320 30 T -335064320 31 T -335064320 34 T -335064320 39 T -335064320 40 T -335064320 42 T -335064320 44 T -335064320 45 T -335064320 51 T -335064320 52 T -335064320 7 T -335064320 18 T -335064320 27 T -335064320 32 T -335064320 36 T -335064320 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
