[gmx-users] Obtaining trajectory coordinates at all dt

Xu Dong Huang xudonghmath at gmail.com
Mon Oct 28 19:56:19 CET 2013


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? ]
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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