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,
<amber.scripps.edu>, and not to me personally. That way, many people have a
chance to answer your questions, and others can benefit from the answers.
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you need to do this before you post.)
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
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Tue Oct 14 2003 - 23:53:01 PDT
