[gmx-users] How to get LJ potential Energy at any time(not average)

[Justin A. Lemkul]

The output of g_energy is a .xvg file that contains all the values of the 
requested parameters at each time point.  So, for any given time, the value of 
that parameter will be present.

-Justin

ting wei wrote:
> Hi,
>   I want to get LJ potential energy at a special  time,not the average 
> energy.can I use g_energy and how to do that?
>   thank you.
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
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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