From: Morad Alawneh (alawneh_at_chem.byu.edu)
Date: Mon Dec 18 2006 - 12:47:01 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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