[gmx-users] Trajectory: reducing

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 16 13:09:08 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?
> Regards
> Alessandro 
g_rmsf produces averages over a trajectory. You probably have to run a 
script.

> 
> Alessandro Mattozzi
> M.Phil., Ph.D. student
> Dept. of Fibre and Polymer Technology
> Royal Institute of Technology
> Stockholm, Sweden
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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