From: Mgr. Lubos Vrbka (lubos.vrbka_at_uochb.cas.cz)
Date: Mon Apr 18 2005 - 10:08:41 CDT

> But what about precision ? I have already mentioned the precision loss
> that occurs when CHARMM transforms the binary trajectory in a text
> one. Sure, for visualisation only, such precision is not so important,
> but lately VMD started to also be used as analysis tool
the precision requirements depend very much on the purpose. i don't
think that precision higher than 0.001A is of any use in molecular
dynamics (might be different for QM), even for an analysis. of course no
one can be forced to transform/compress his/her trajectories, but having
transparent handling of both compressed and uncompressed files in vmd
would be very nice feature...

> The code still has to be written. I'm sure that John would not mind a
> patch from you :-)
you're right, i'll have to have a look into the sources... after all, it
shouldn't be too hard :)

regards,
lubos

-- 
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Mgr. Lubos Vrbka
Center for Biomolecules and Complex Molecular Systems
Institute of Organic Chemistry and Biochemistry
Academy of Sciences of the Czech Republic
Prague, Czech Republic
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