[h5md-user] Additional properties of particles

[Jakub Krajniak]

Hi,

Recently I started to use H5MD (thanks to Pierre de Buyl) but I would like to 
propose additional properties that seems to be missing.
1. The particle charge 'q'. It should behave like the 'mass' property and could 
be both time-dependent and time-independent.

2. The 'resnr' that will behave like current 'species'. That property should 
group the particles in molecules. The .gro and .pdb file format have something 
similar. The residue name is not so important as it could be solved outside the 
h5md.

Looking forward for some comments or maybe suggestion how to use current 
specification to get the same behaviour.

Best regards,
Jakub Krajniak

--
Jakub Krajniak, Computer Science Department @ KU Leuven
mob. +32 477 688 404
room: 200a 01.41

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