Sunday, September 22 2024 00:51:38
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -362280576 1 T -362280576 4 T -362280576 9 T -362280576 12 T -362280576 15 T -362280576 26 T -362280576 33 T -362280576 37 T -362280576 38 T -362280576 50 T -362280576 53 T -362280576 2 T -362280576 7 T -362280576 11 T -362280576 14 T -362280576 19 T -362280576 24 T -362280576 25 T -362280576 28 T -362280576 42 T -362280576 43 T -362280576 45 T -362280576 47 T -362280576 3 T -362280576 5 T -362280576 13 T -362280576 16 T -362280576 35 T -362280576 48 T -362280576 6 T -362280576 10 T -362280576 17 T -362280576 20 T -362280576 21 T -362280576 22 T -362280576 23 T -362280576 29 T -362280576 30 T -362280576 32 T -362280576 34 T -362280576 39 T -362280576 40 T -362280576 41 T -362280576 44 T -362280576 46 T -362280576 51 T -362280576 52 T -362280576 8 T -362280576 18 T -362280576 27 T -362280576 31 T -362280576 36 T -362280576 49 THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.88719E+00 AVE RMSD 3.28 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00998E+00 RMS 3.22 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.51604E+00 AVE RMSD 3.73 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.86048E+00 RMS 3.93 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.59557E+00 AVE RMSD 4.73 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.95984E+00 RMS 4.54 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.79408E+00 AVE RMSD 2.24 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.38056E+00 RMS 2.19 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.35101E+00 AVE RMSD 4.09 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.63064E+00 RMS 3.96
