Wednesday, September 25 2024 23:22:25
UNRES
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CTEST_FULL_OUTPUT wrong number of coordinates in xdr3dfcoor; 353406174 arg vs 152 in file********** Program terminated normally. ********** Program terminated normally. JESTEM ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! THERE ARE 5 FAMILIES OF CONFORMATIONS dfa_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -9.17543E+02 AVE RMSD 0.00 dfa_wham_T280K_0001.pdb:REMARK clustering ENERGY -9.16925E+02 RMS 0.00 dfa_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -9.16058E+02 AVE RMSD 0.00 dfa_wham_T280K_0002.pdb:REMARK clustering ENERGY -9.15652E+02 RMS 0.00 dfa_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -9.15838E+02 AVE RMSD 0.00 dfa_wham_T280K_0003.pdb:REMARK clustering ENERGY -9.15402E+02 RMS 0.00 dfa_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -9.15770E+02 AVE RMSD 0.00 dfa_wham_T280K_0004.pdb:REMARK clustering ENERGY -9.15080E+02 RMS 0.00 dfa_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -9.15034E+02 AVE RMSD 0.00 dfa_wham_T280K_0005.pdb:REMARK clustering ENERGY -9.14437E+02 RMS 0.00
