VMD-L Mailing List

From: Peter Jones (p.m.jones_at_optusnet.com.au)
Date: Wed May 21 2008 - 22:28:35 CDT

Hi all,

I'm trying to write a small tcl script that will change all the
coordinates in a simulation trajectory to nanometers (ie scale by 0.1).
I have tried-

set all [atomselect top "all"]
set num_steps [molinfo top get numframes]

for {set frame 0} {$frame < $num_steps} {incr frame} {

foreach coord [$all get {x y z}] {
set new [vecscale 0.1 $coord]
lappend newcoords $new
}

$all set {x y z} $newcoords }

but I get an error about mismatched data sets, there seems to be twice
the number of coordinates.

Any help would be greatly appreciated,

thanks,

Peter Jones