[phenixbb] questions/problems with tls_as_xyz routines

David A Case david.case at rutgers.edu
Mon Apr 11 06:49:11 PDT 2016

On Mon, Apr 11, 2016, David Case wrote:
>     c. I then computed ADP's from the ensemble, using tools from cpptraj
>        in Amber, (or our own codes, which give the same results).  But
>        the extracted isotropic B factors (and the anisotropic
>        components) are much larger than the input ones.  So, the ensemble is
>        giving me what I expected: a sampling of structures whose fluctuations

         aarghh:  "ensemble is *not* giving me..."

>        arise from the input TLS matrices.


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