From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Fri Dec 15 2006 - 21:34:21 CST
That is the pressure tensor (Pxx Pxy Pxz etc.). Since these values
fluctuate a lot, only averages are meaningful though. All off-
diagonal values should average to zero, as one would expect, leaving
the pressure along each dimension only.
On Dec 15, 2006, at 8:50 PM, Morad Alawneh wrote:
> Dear NAMD users,
>
> When activating the option outputPressure with a value of 100 it
> will print out on the log file the atomic and group pressure tensors.
>
> This is an example:
>
> PRESSURE: 100 453.842 -196.671 -654.667 -113.111 109.92 321.118
> -729.011 328.808 -58.3356
>
> I know the first number corresponds to the time step, but my
> question is
>
> what is the meaning of the other 9 numbers?
>
> Thanks
>
> Morad Alawneh
>
>
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