Saturday, September 21 2024 10:48:59
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0.79s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 1612209232 1 T 1612209232 4 T 1612209232 9 T 1612209232 12 T 1612209232 15 T 1612209232 26 T 1612209232 33 T 1612209232 37 T 1612209232 38 T 1612209232 50 T 1612209232 53 T 1612209232 2 T 1612209232 7 T 1612209232 11 T 1612209232 14 T 1612209232 19 T 1612209232 24 T 1612209232 25 T 1612209232 28 T 1612209232 42 T 1612209232 43 T 1612209232 45 T 1612209232 47 T 1612209232 3 T 1612209232 5 T 1612209232 13 T 1612209232 16 T 1612209232 35 T 1612209232 48 T 1612209232 6 T 1612209232 10 T 1612209232 17 T 1612209232 20 T 1612209232 21 T 1612209232 22 T 1612209232 23 T 1612209232 29 T 1612209232 30 T 1612209232 32 T 1612209232 34 T 1612209232 39 T 1612209232 40 T 1612209232 41 T 1612209232 44 T 1612209232 46 T 1612209232 51 T 1612209232 52 T 1612209232 8 T 1612209232 18 T 1612209232 27 T 1612209232 31 T 1612209232 36 T 1612209232 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
