[gmx-users] Obtaining trajectory coordinates at all dt
mark.j.abraham at gmail.com
Mon Oct 28 21:34:03 CET 2013
On Mon, Oct 28, 2013 at 7:56 PM, Xu Dong Huang <xudonghmath at gmail.com>wrote:
> I have couple objectives as part of an analysis of my simulated system.
> And I would like some opinions on the tools to use to achieve it.
> I have the following interest in my system:
> 1) Find the probability distribution (density) of bond angle on my
> molecule between (i.e atom 12, 2,3 , 13, etc) as a function of time step,
> essentially, the equilibrium angle. [would I use g_chi for such analysis? ]
Summary of available tools in manual 7.4 and 8 - good place to look first.
Probably you want g_angle.
> 2) I want the above result in an excel spreadsheet, is there a way to
> obtain it as a spreadsheet? Or I can only get a plot representation as a
> function of time?
> Please share your expertise and opinions.
> Thank you.
> Xu Huang
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