From: Alexandre A. Vakhrouchev (makaveli.lcf_at_gmail.com)
Date: Fri Jun 01 2007 - 09:05:46 CDT
Hi all!
This question is the continue of my previous request:
http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/5861.html
In NAMD user guide we get:
- *outputPressure * [image: $<$] timesteps between pressure output [image:
$>$]
*Acceptable Values: * nonnegative integer
*Default Value: * 0
*Description: * The number of timesteps between each pressure output
of NAMD. If specified and nonzero, atomic and group pressure tensors will be
output to *stdout*.
What actualy "pressure tensor" means? I wander because it is not symmetric:
PRESSURE: 100 -11107.1 137.456 -266.118 142.643 -11087.4 172.275 -172.297
159.271 -9452.14
It is
PRESSURE: ts Pxx Pxy Pxz Pyx Pyy Pyz Pzx Pzz
isn't it? Where Pij equals to Pji.
Thanks in advance!
Dr. Alexandre Vakhrouchev
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