On Wed, Mar 30, 2016, Francisco Corzana López wrote:
> I would like to know the convention in AMBER for the Euler angles.
> I mean, in the align namelist for direct dipolar coupling restraints,
> some of the variables to be defined are s11, s12,s13,s22 and s23 that
> are the Cartesian components of the alignment tensor.
> Are them in ay’z format?
I don't understand the question. The alignment tensor is (as you note) given
in *Cartesian* framework, 1==x, 2==y, 3==z. The person who wrote the code
doesn't understand Euler angles.
...hope this helps...if not, please try to explain your question more fully.
...dac
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Received on Wed Mar 30 2016 - 10:30:03 PDT
