[MMTK] how to force trajectory object write to file?

[Konrad Hinsen]

On 24.10.2008, at 17:37, Jose Borreguero wrote:

> Is there a method for a trajectory object that flushes stored  
> coordinates and velocities to the associated NetCDF file? I'm  
> newbie to MMTK and I can't find it.

I was somewhat surprised myself to find that there isn't. I just  
added a flush() method:

	http://dirac.cnrs-orleans.fr/hg/MMTK/main/rev/9c57e9b51779

It will be in the next release of course. In the meantime, you can  
either download the patch cited above, or used

	trajectory.trajectory.file.sync()

as a workaround.

Konrad.
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr
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