Wednesday, May 15 2024 12:49:29
UNRES
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CTEST_FULL_OUTPUT wrong number of coordinates in xdr3dfcoor; 5219 arg vs 42 in fileNote: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO STOP ********** Program terminated normally. Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO STOP ********** Program terminated normally. T 65 1 T 65 4 T 65 9 T 65 12 T 65 15 T 65 26 T 65 33 T 65 37 T 65 38 T 65 50 T 65 53 T 65 2 T 65 7 T 65 11 T 65 14 T 65 19 T 65 24 T 65 25 T 65 28 T 65 42 T 65 43 T 65 45 T 65 47 T 65 3 T 65 5 T 65 13 T 65 16 T 65 35 T 65 48 T 65 6 T 65 10 T 65 17 T 65 20 T 65 21 T 65 22 T 65 23 T 65 29 T 65 30 T 65 32 T 65 34 T 65 39 T 65 40 T 65 41 T 65 44 T 65 46 T 65 51 T 65 52 T 65 8 T 65 18 T 65 27 T 65 31 T 65 36 T 65 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
