[phenixbb] B-group and TLS

[Engin Ozkan]

Dear phenixbb people,

I am performing group ADP refinement and TLS at the same time.  At the 
end, the total B factors in the pdb are not identical within residue 
groups. 

ATOM      7  N   ILE A  11      23.863   6.894  77.827  1.00151.81      
A    N
ANISOU    7  N   ILE A  11    20044  20245  17393   -796  -2448   -568  
A    N
ATOM      8  CA  ILE A  11      23.647   6.312  76.502  1.00149.93      
A    C
ANISOU    8  CA  ILE A  11    19407  19827  17732   -699  -2577   -541  
A    C
ATOM      9  CB  ILE A  11      24.451   7.060  75.423  1.00142.17      
A    C
ANISOU    9  CB  ILE A  11    18258  18757  17003   -502  -2834   -817  
A    C
ATOM     10  CG2 ILE A  11      24.819   6.135  74.260  1.00140.21      
A    C
ANISOU   10  CG2 ILE A  11    17760  18301  17213   -445  -3136   -730  
A    C
ATOM     11  CG1 ILE A  11      23.648   8.266  74.929  1.00141.20      
A    C
ANISOU   11  CG1 ILE A  11    17949  18698  17002   -369  -2502  -1103  
A    C
ATOM     12  CD1 ILE A  11      22.184   7.945  74.630  1.00147.23      
A    C
ANISOU   12  CD1 ILE A  11    18421  19495  18025   -392  -2156  -1014  
A    C
ATOM     13  C   ILE A  11      24.000   4.831  76.450  1.00152.71      
A    C
ANISOU   13  C   ILE A  11    19772  20013  18238   -798  -2860   -201  
A    C
ATOM     14  O   ILE A  11      24.895   4.377  77.158  1.00153.29      
A    O
ANISOU   14  O   ILE A  11    20114  20074  18055   -857  -3135     -9  
A    O

I would like to know if the refinement was truly grouped B-factor 
refinement - I am suspecting the residual B-factors might be grouped, 
but I haven't checked for that.  Could anyone, maybe Pavel, confirm that 
is the case?  Is there anyplace in the log files I could see the number 
of B groups?

Thanks,

Engin