Saturday, September 21 2024 12:38:30
UNRES
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CTEST_FULL_OUTPUT wrong number of coordinates in xdr3dfcoor; 3 arg vs 97 in file********** Program terminated normally. ********** Program terminated normally. JESTEM THERE ARE 5 FAMILIES OF CONFORMATIONS wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY -1.61959E+02 AVE RMSD 1.42 wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.59313E+02 RMS 1.46 wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY -1.61816E+02 AVE RMSD 1.48 wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.59314E+02 RMS 1.49 wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY -1.61589E+02 AVE RMSD 1.31 wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.59314E+02 RMS 1.14 wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY -1.61549E+02 AVE RMSD 1.25 wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.59312E+02 RMS 1.06 wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY -1.60642E+02 AVE RMSD 3.06 wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock ENERGY -1.59303E+02 RMS 3.89
