Wednesday, September 25 2024 22:22:48
UNRES
5.58s
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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 1507861408 1 T 1507861408 2 T 1507861408 3 T 1507861408 4 T 1507861408 5 T 1507861408 10 T 1507861408 11 T 1507861408 15 T 1507861408 21 T 1507861408 33 T 1507861408 6 T 1507861408 7 T 1507861408 16 T 1507861408 26 T 1507861408 8 T 1507861408 9 T 1507861408 24 T 1507861408 27 T 1507861408 30 T 1507861408 12 T 1507861408 13 T 1507861408 14 T 1507861408 18 T 1507861408 20 T 1507861408 22 T 1507861408 28 T 1507861408 29 T 1507861408 31 T 1507861408 32 T 1507861408 34 T 1507861408 17 T 1507861408 19 T 1507861408 23 T 1507861408 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
