[gmx-users] Xmgrace related question.

Oliver Beckstein oliver at biop.ox.ac.uk
Wed Sep 29 01:58:52 CEST 2004

Hi Jessica,

actually, there are two alternative ways to do it (this is for xmgrace

1) Transform x-axis:
   Data -> Transformations -> Evaluate Expression
     select your set as source and destination
     Formula: x=x/1000

   Then autoscale-x your coordinate system or use the Plot->Axis
   properties dialog 

2) Change the labels on the axis but keep the x-coordinate in ps

   View->Axis properties
   Tab: [Tick labels]
   Extra: Axis transform  $t/1000

   This creates labels which are 1/1000 of the original label.

Hope that helps,

> This is not really a gmx related question, but a grace
> related one. Since ps is the fundamental time unit of
> gmx, all trajectories are in units of ps and so are
> the output xvg files. This is fine for short
> trajectories; but when one simulates trajectories
> >100ns, the abscissa would be better shown in ns.
> I want to know how to convert the abscissa into ns
> from within xmgrace. I have not been able to figure it
> out yet. I understand that I need to generate a new
> set of x  coordinates which is just (old x
> coordinates/1000), but not been able to do it. I am
> able to do it for the ordinate though...
> Any help??
> Jessica Bloom
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Oliver Beckstein * oliver at biop.ox.ac.uk

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