Friday, September 20 2024 08:22:39
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T 287729360 1 T 287729360 4 T 287729360 9 T 287729360 11 T 287729360 15 T 287729360 26 T 287729360 33 T 287729360 37 T 287729360 38 T 287729360 50 T 287729360 53 T 287729360 2 T 287729360 8 T 287729360 12 T 287729360 14 T 287729360 19 T 287729360 24 T 287729360 25 T 287729360 28 T 287729360 41 T 287729360 43 T 287729360 46 T 287729360 47 T 287729360 3 T 287729360 5 T 287729360 13 T 287729360 16 T 287729360 35 T 287729360 48 T 287729360 6 T 287729360 10 T 287729360 17 T 287729360 20 T 287729360 21 T 287729360 22 T 287729360 23 T 287729360 29 T 287729360 30 T 287729360 31 T 287729360 34 T 287729360 39 T 287729360 40 T 287729360 42 T 287729360 44 T 287729360 45 T 287729360 51 T 287729360 52 T 287729360 7 T 287729360 18 T 287729360 27 T 287729360 32 T 287729360 36 T 287729360 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
