Monday, September 23 2024 21:20:17
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -890736560 1 T -890736560 4 T -890736560 9 T -890736560 12 T -890736560 15 T -890736560 26 T -890736560 33 T -890736560 37 T -890736560 38 T -890736560 50 T -890736560 53 T -890736560 2 T -890736560 7 T -890736560 11 T -890736560 14 T -890736560 19 T -890736560 24 T -890736560 25 T -890736560 28 T -890736560 42 T -890736560 43 T -890736560 45 T -890736560 47 T -890736560 3 T -890736560 5 T -890736560 13 T -890736560 16 T -890736560 35 T -890736560 48 T -890736560 6 T -890736560 10 T -890736560 17 T -890736560 20 T -890736560 21 T -890736560 22 T -890736560 23 T -890736560 29 T -890736560 30 T -890736560 32 T -890736560 34 T -890736560 39 T -890736560 40 T -890736560 41 T -890736560 44 T -890736560 46 T -890736560 51 T -890736560 52 T -890736560 8 T -890736560 18 T -890736560 27 T -890736560 31 T -890736560 36 T -890736560 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
