[gmx-users] g_energy -ravg option

Justin A. Lemkul jalemkul at vt.edu
Wed Mar 30 19:02:33 CEST 2011

simon sham wrote:
> Hi,
> I need to calculate a running average on pressure, and have problem in 
> using the -ravg option in g_energy command:
> I have tried the followings:
> 1. g_energy -f file.edr -ravg ravg.xvg -o pressure.xvg
> 2. g_energy -f file.edr -ravg -o pressure.xvg
> I could get the fluctuations in pressure.xvg, but not the running averages.

The -ravg option is to produce running averages of free energy differences 
between states provided in two .edr files (-f and -f2).

Xmgrace can produce running averages for the data in the .xvg file.


> Any help is appreciated in advance.
> Simon Sham


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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