AMBER Archive (2002)

Subject: Re: time correlation function

From: David A. Case (case_at_scripps.edu)
Date: Thu Oct 31 2002 - 09:21:28 CST

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 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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