Friday, September 27 2024 15:30:26
UNRES
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CTEST_FULL_OUTPUT STOP ********** Program terminated normally. STOP ********** Program terminated normally. JESTEM ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! T -330079296 1 T -330079296 2 T -330079296 3 T -330079296 4 T -330079296 5 T -330079296 10 T -330079296 11 T -330079296 15 T -330079296 21 T -330079296 33 T -330079296 6 T -330079296 7 T -330079296 16 T -330079296 26 T -330079296 8 T -330079296 9 T -330079296 24 T -330079296 27 T -330079296 30 T -330079296 12 T -330079296 13 T -330079296 14 T -330079296 18 T -330079296 20 T -330079296 22 T -330079296 28 T -330079296 29 T -330079296 31 T -330079296 32 T -330079296 34 T -330079296 17 T -330079296 19 T -330079296 23 T -330079296 25 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
