VMD-L Mailing List

From: Toni Giorgino (toni.giorgino_at_gmail.com)
Date: Fri Nov 25 2011 - 11:21:28 CST

Hi

one-liner... if you only load the interesting segment of the trajectory.

[atomselect top all] set {x y z} [measure avpos [atomselect top all]]

T

On Fri, Nov 25, 2011 at 4:52 PM, flavio seixas <oivalf_nix_at_yahoo.com> wrote:

> Hi,
>
> I have made a equilibration simulation of a protein system.
>
> Now I want to calculate an average structure from the lasts 1000 snapshots
> (last 1000 ps) of the equilibrated system.
>
> Does anyone know any script that can help me in this goal?
>
> I appreciate any help in this regard.
>
> Flavio
>
>
> 

-- 
Toni Giorgino, PhD - toni.giorgino_at_gmail.com - fax +39 0382 1850209
Universitat Pompeu Fabra - Barcelona Biomedical Research Park (PRBB)
Post-doctoral research fellow - Computational Biochemistry and Biophysics
Lab
C/ Doctor Aiguader 88, 08003 Barcelona, Spain