[ccp4bb]: TLSANL query

[Ganapathy Sarma <sarma@odysseus.als.orst.edu>]

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Hi all,

I just finished refining a structure using REFMAC with TLS. I was looking
at the contribution of the TLS parameters using TLSANL. To check 
the contribution of each of the three parameters, I set two tensors at a
time to zero and ran TLSANL again. In other words, the L- and S-tensors 
were set to zero and the T tensor was analyzed and so on. When the B-factors
were plotted for the three tensors, the T- and the L-tensors look 
reasonable but the S-tensor shows negative peaks. 
Is it correct to analyze the tensors separately and if so how does one
explain the negative B-factors for the S-tensor? 
 
Cheers,
Ganapathy

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Ganapathy N. Sarma.                      
Department of Biochemistry and Biophysics
Oregon State University                  
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