[gmx-users] Trajectory: reducing

Mark Abraham Mark.Abraham at anu.edu.au
Sat Jun 17 02:17:15 CEST 2006


Alessandro Mattozzi wrote:
> Hi all
> is it possible to process a trajectory so to get the reduced trajectory 
> with a predifined reducing timestep T? I.e. averaging the positions every T?

If you don't want averaging then you can use trjconv, obviously. Given 
that trajectory snapshots adjacent in time are close to each other in 
space, this is a reasonable approximation to the above process for short 
"reducing timesteps".

Mark



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