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

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 11 03:28:53 CEST 2008

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.


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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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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