[gmx-users] Xmgrace related question.

David van der Spoel spoel at xray.bmc.uu.se
Wed Sep 29 08:39:57 CEST 2004

On Wed, 2004-09-29 at 00:50, gromacs user wrote:
> 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??

Alternatively to Olivers answer, many GROMACS programs have an option to
set the time unit in the output (from fs to hour)...
> Jessica Bloom
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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