VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed Mar 21 2018 - 04:02:14 CDT

Doing some googling would have pointed out something like: (TkConsole)

 

set sel [atomselect top protein]
set avg [measure avpos $sel]

$sel set {xyz} $avg

 

This will overwrite the current frame with the average position of all
frames.

 

Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von
Williams Miranda
Gesendet: Mittwoch, 21. März 2018 07:37
An: vmd-l_at_ks.uiuc.edu
Betreff: vmd-l: Average structure

 

Hello

How could I calculate the average structure for a protein from the *dcd
trajectory using vmd?

Thanks

Williams