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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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