AMBER Archive (2005)

Subject: Re: AMBER: Residual Dipolar Refinement

From: David A. Case (case_at_scripps.edu)
Date: Thu Dec 01 2005 - 08:22:11 CST

On Wed, Nov 30, 2005, RadhaKumari Yadav wrote:
>
> I like to do residual dipolar refinement using amber. Can anyone tell me
> how to assign the values for the componets of the assignment tensor s11,
> s12,s22,s13,s23,s33 . Also, I like to know whether AMBER requires any
> input coordinate for the inital model.

The initial guess for these can generally just be all zeroes. Or, you can use
values from some other fitting program (like SVD analysis). Amber definitiely
requires an initial structural model.

...good luck...dac

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