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 <[email protected]> To: Discussion list for GROMACS users <[email protected]> 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 ======================================== -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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