Wednesday, September 25 2024 23:17:52
UNRES
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CTEST_FULL_OUTPUT wrong number of coordinates in xdr3dfcoor; 353406174 arg vs 42 in file********** Program terminated normally. ********** Program terminated normally. JESTEM THERE ARE 5 FAMILIES OF CONFORMATIONS 1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 2.17826E+00 AVE RMSD 5.19 1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 2.31768E+00 RMS 4.98 1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 2.75678E+00 AVE RMSD 4.24 1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 3.47622E+00 RMS 4.29 1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 2.89081E+00 AVE RMSD 3.75 1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 3.64948E+00 RMS 4.52 1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 3.32555E+00 AVE RMSD 3.70 1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 3.77348E+00 RMS 4.06 1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 3.78099E+00 AVE RMSD 4.90 1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 4.01676E+00 RMS 4.79
