[gmx-users] Calculating the time for existence of h-bond

Mark Abraham Mark.Abraham at anu.edu.au
Thu Nov 20 17:30:31 CET 2008


vivek sharma wrote:
> HI Mark,
> thanks for your reply.....
> I have gone through the g_hbond -h, and have plotted hbnum.xvg using 
> -num, which gives me the plot of the number of h_bonds with respect to 
> time, but       can I find out the duration of bond in percent of the 
> whole trajectory time ?

-hbm gives the existence matrix. You're on your own to add up and divide!

Mark



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