From: Sterling Paramore (paramore_at_hec.utah.edu)
Date: Wed Mar 28 2007 - 16:12:06 CDT
Try calculating a pressure autocorrelation time. From this, you should
be able to estimate how many independent pressure observations you made
over the course of your 10ns simulation. Using that number, you can
calculate the standard deviation of the mean pressure. If the standard
deviation of the mean is larger than the average, you don't have enough
sampling; if not, then you've got another problem.
-Sterling
Morad Alawneh wrote:
> *The simulation was for 10 ns with the following SD:
>
> Pxx Pyy
> Pzz Pt P <P>
> average -105.7232 -119.0253 -16.4359 -112.3742
> -80.3948 -54.0773
> SD 516.3578 520.2953 578.8550 395.4912
> 362.1872 106.7834
>
> Thanks.
>
> Morad Alawneh*
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