[MMTK] Auto-discard notification

Konrad Hinsen hinsen at cnrs-orleans.fr
Mon Jun 19 17:51:55 CEST 2006


On Jun 16, 2006, at 4:43, mmtk-bounces at python.net wrote:

> The attached message has been automatically discarded.

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> Subject: How to output each energy component for a conformation
>
> Does anyone tell me how I can output
> each component of the energy terms
> such as electrostatic, LJ, and bonding
> energies for a conformation of Universe?

Try this:

	print universe.energyTerms()

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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