[gmx-users] residence time calculation

[Sanku M]

Hi,
  I looked into the mailing list and I found that there is a method where one 
uses g_hbond -contact -ac option to calculate the autocorrelation function of a 
contact pair and then integrate the autocorrelation function to get the 
correlation time. I guess the correlation time is the residence time. Is it ? 
Sanku



________________________________
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Tue, July 12, 2011 9:13:20 PM
Subject: Re: [gmx-users] residence time calculation



Sanku M wrote:
> Hi ,
>     I am planning to calculate the residence time of a counter-ion near the 
>charged head group of surfactant. I was wondering whether some one can suggest 
>how one can calculate residence time in gromacs?

A similar topic was just discussed a few hours ago.  Please check the archive.

-Justin

-- ========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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