Thank you for the info!
Best,
Francisco
El 30 mar 2016, a las 19:18, David A Case <david.case.rutgers.edu<mailto:david.case.rutgers.edu>> escribió:
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 Thu Mar 31 2016 - 10:30:04 PDT
