VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Oct 29 2012 - 07:18:10 CDT

On Mon, Oct 29, 2012 at 11:20 AM, Michael Doig <m.doig_at_sms.ed.ac.uk> wrote:
> I am trying to visualise a LAMMPS dump file, by colouring the atoms via a
> velocity component, vx say.
>
> I have found this script in the mailing list history (29th Sept 2011) from
> Axel Kohlmeyer.
>
> However, I am having trouble modifying it. The smallest limit for setting
> the colour scale in VMD seems to be +/- 0.01, whereas my velocity data is in
> a much smaller range [-0.00005 --> 0.00005]. I am trying to multiply all the

have you tried setting the range manually?
it may not show it, but it should still work.

axel.

> user values (or the velocities as they are read in) by a common factor (say
> 10000), to allow me to colour them.
>
> I realise this should be very simple, but I cannot get the syntax correct.
> Can someone tell me what I need to add to the script below to do this.
>
> Thanks in advance,
> Michael.
>
> ---------------------------------------------------------
> set framecount [molinfo top get numframes]
> set sel [atomselect top all]
> for {set frame_no 0} {$frame_no<$framecount} {incr frame_no} {
> $sel frame $frame_no
> $sel set {user user2 user3} [$sel get {vx vy vz}]
> }
> $sel delete
>
> --
> The University of Edinburgh is a charitable body, registered in
> Scotland, with registration number SC005336.
>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.