AMBER Archive (2003)

Subject: Re: AMBER: nmanal projection

From: David A. Case (case_at_scripps.edu)
Date: Tue Oct 14 2003 - 17:11:29 CDT

On Fri, Oct 10, 2003, Qiang Lu wrote:
>
> Why in the nmanal projection of the normal mode vector onto internal
> coordinates(proj.f and bmat.f), there are two internal coordinate vectors
> correspond to one bond and three internal coordinate vectors correspond to
> an angle and four internal coordinate vectors correspond to one dihedral
> angle?
>

Please send amber-related questions to the mail reflector,
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I think you are seeing not internal coordinate vectors, but atom postions.
A bond is defined by two atoms, an angle by three, and a torsion by 4.

..hope this helps..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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