Thursday, September 19 2024 09:26:11
UNRES
0.49s
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. T -733320688 1 T -733320688 4 T -733320688 9 T -733320688 11 T -733320688 15 T -733320688 26 T -733320688 33 T -733320688 37 T -733320688 38 T -733320688 50 T -733320688 53 T -733320688 2 T -733320688 8 T -733320688 12 T -733320688 14 T -733320688 19 T -733320688 24 T -733320688 25 T -733320688 28 T -733320688 41 T -733320688 43 T -733320688 46 T -733320688 47 T -733320688 3 T -733320688 5 T -733320688 13 T -733320688 16 T -733320688 35 T -733320688 48 T -733320688 6 T -733320688 10 T -733320688 17 T -733320688 20 T -733320688 21 T -733320688 22 T -733320688 23 T -733320688 29 T -733320688 30 T -733320688 31 T -733320688 34 T -733320688 39 T -733320688 40 T -733320688 42 T -733320688 44 T -733320688 45 T -733320688 51 T -733320688 52 T -733320688 7 T -733320688 18 T -733320688 27 T -733320688 32 T -733320688 36 T -733320688 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
