[gmx-users] g_hbond : autocorrelation funciton

Justin Lemkul jalemkul at vt.edu
Mon Apr 15 01:56:24 CEST 2013

On 4/14/13 7:21 PM, Nilesh Dhumal wrote:
> Hello,
> I am calculating  the hyrogen bond life time my system using g_hbond in
> Gromacs. Program calculate the hydrogen bond life time from the
> autocorrelation function. Program calculate the hydrogen bond
> autocorrelation function with the hydrogen bond criteria.
> What quantity program use such as distance between donor-acceptor, to
> calculate the autocorrelation function?

This is an adjustable option.  Please read g_hbond -h.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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