On 1/3/07, Chris MacRaild <[EMAIL PROTECTED]> wrote:
On Fri, 2006-12-29 at 12:12 +0800, Hongyan Li wrote:
> Dear relax users,
> I am trying to run relax using spheroid model. I am a bit confused how to set
> diffusion tensor. I tried r2r1_diffusion to get Diso and Dper and Dpar, Theta
> and Phi, then input these values into the script (sample_script/model-free.py)
> and in this script "diffusion_tensor.init(name, (2e-8, 1.3, 60, 290),
> param_types=0, spheroid_type='prolate', fixed=1)" I guess the values should be
> tm and Da, theta and Phi (is the second value 1.3 Da? seems not right cause I
> got 5e7 for this)
It looks to me like this line in model-free.py was not properly updated
when the diffusion_tensor.init() function was changed in relax a few
versions back. The line should read:
diffusion_tensor.init(name, (2e-8, 1.3, 60, 290), param_types=2,
spheroid_type='prolate', fixed=1)
ie. the value 1.3 is actually Dr (= Dpar/Dper), not Da
Just a small point, I think you meant to say Dratio rather than the
asymmetric or rhombic parameter Dr. The relax user manual explains
all the possible parameter combinations and how they relate to the
'param_types' argument.
Edward
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