<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div>Hi,</div><div> 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 ? </div><div>Sanku</div><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><br><div style="font-family:arial, helvetica, sans-serif;font-size:13px"><font size="2" face="Tahoma"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Justin A. Lemkul <jalemkul@vt.edu><br><b><span style="font-weight: bold;">To:</span></b> Discussion list for GROMACS users <gmx-users@gromacs.org><br><b><span style="font-weight:
bold;">Sent:</span></b> Tue, July 12, 2011 9:13:20 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] residence time calculation<br></font><br>
<br><br>Sanku M wrote:<br>> Hi ,<br>> 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?<br><br>A similar topic was just discussed a few hours ago. Please check the archive.<br><br>-Justin<br><br>-- ========================================<br><br>Justin A. Lemkul<br>Ph.D. Candidate<br>ICTAS Doctoral Scholar<br>MILES-IGERT Trainee<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]vt.edu | (540) 231-9080<br><span><a target="_blank" href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a></span><br><br>========================================<br>-- gmx-users mailing list <a ymailto="mailto:gmx-users@gromacs.org"
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