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.
-Justin
Any help is appreciated in advance.
Simon Sham
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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