11 Apr
2016
11 Apr
'16
1:49 p.m.
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.
...dac