[gmx-users] g_energy -ravg option
simon sham
ssham44 at yahoo.com
Wed Mar 30 18:57:00 CEST 2011
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.
Any help is appreciated in advance.
Simon Sham
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