how to get the velocities from the dcd file

From: Alessio Alexiadis (sersunzo_at_yahoo.com)
Date: Mon Mar 05 2007 - 09:25:49 CST

Hi everybody,
  
I’m sure this is a very silly question but I really couldn’t find any solution in the User’s Guide or on the Tutorials.
   
  I’m simulating the flow of water inside carbon nanotubes and I wanted to calculate the average velocity at certain locations of the tube.
  
The idea is to get some streaming velocity profiles averaging the velocities of the molecules that cross a certain surface dS. Nothing new, it was done in many papers on the subject (see for instance Travis and Gubbins, Poiseulle flow of Lennard-Jones fluids in narrow slit pores, Journal of Chemical Physics, vol. 112, num. 4, 2000, pages 1984-1994) and it should be a simple task.
   
  The point is that I couldn’t find any way to access the velocities from the trajectory file. I’m thinking something like the tcl command
  
$sel get {x y z}
  
But for the velocities instead of the coordinates. Can anybody help me?
   
  Thanks in advance
Alessio

 
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