Re: Acceptable pressure values

From: Fabio Zegarra (fabiozegarra7_at_gmail.com)
Date: Mon May 26 2008 - 19:32:21 CDT

Dear Peter,

Thank you for your answer. These are the mean values that I got from a 5ns
simulation:

TEMPAVG: 299.3 (std=2.07)
PRESSURE: -28.75 (std=299.7)
GPRESSURE: 3.515 (std=299.6)
VOLUME: 82020 (std=420.5)
PRESSAVG: 1.554 (std=23.7)
GPRESSAVG: 1.555 (std=23.7)

*std: standard deviation

You can observe that the mean values of PRESSURE and GPRESSURE are far from
the 1 atm target, but PRESSAVG and GPRESSAVG are much closer.

I would like to know if you have similar values for the GPRESSAVG using
Langevin Piston (langevinPistonTarget 1.01325). I am still thinking that it
could be too much, because there is 50% difference.

Sincerely,
Fabio

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