Pressure calculation method

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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