[gmx-users] probability distribution of bond distance/length

Xu Dong Huang xudonghmath at gmail.com
Fri Nov 1 04:04:24 CET 2013


Dear all,

I would like to assess the probability distribution of particle bond distance/length over the entire run, specifically I want to collect possibly a histogram representation or even a regular plot. Would using g_bond be the correct way to obtain the probability distribution? Or is there another function that gets probability distribution specifically. Also, if using g_bond, it will give me an average (I suppose), so how can I get a histogram/data series representation? (I do not want to visualize this result using xmgrace)

P.S I believe someone earlier suggested a link to the data collection reporting procedure, I tried it and changed the .xvg to a .csv, but the data reported in excel format all belongs to 1 single column, which won’t let me make a plot. 

Any insight is appreciated it. 

Xu Huang


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