On Fri, Oct 25, 2002, Bimo Ario Tejo wrote:
>
>
> 1. What does mean with Rrigid and Rave in "corelation" command in ptraj?
> 2. I know C(t) is correlation as function of time, but what does mean with
> P2(t) and R(t)?
>
If I remember correctly, P2(t) is <P2(v(0).v(t))>, where P2 is the Legendre
polynomial of order 2, and "v" is the vector you have chosen.
R(t) is <b^3(0)b^3(t)>, where "b" is the length of the vector you have chosen.
C(t) is <P2(v(0).v(t))/(b^3(0)b^3(t))>
..hope this helps...dac
--
==================================================================
David A. Case | e-mail: case_at_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 Thu Oct 31 2002 - 07:21:28 PST
