[Molecularmechanics] MMTK with XML support

konrad.hinsen at laposte.net konrad.hinsen at laposte.net
Mon Feb 21 21:56:16 WET 2005


On 21.02.2005, at 18:10, Peter Murray-Rust wrote:N

> Thanks - presumably the format is discussed in the distrib?

No, it's on our Wiki. I don't do much documentation for development  
releases. When the code and the format stabilizes, it will be  
documented in the MMTK user manual of course.

> Coincidentally we have just released the latest version of JUMBO - see  
> http://wwmm.ch.cam.ac.uk/moin/Jumbo4.6 which may provide complementary  
> functionality

Actually, I downloaded this a few days ago following your announcement  
on the CCL, but I didn't get very far until now. It would really be  
nice to have a set of concrete tutorial examples to help people get  
started.

I started with the Mol. Sim. paper that mentions the CMLComp subset.  
Fine, that sounds like something I could use - but I can't find it  
anywhere in the CML distribution. Another item that attracted my  
attention is the definition of specific subsets - but the corresponding  
section of the tutorial isn't there yet. So to me this looks like a  
potentially useful tool but without any handle to pick it up.

Konrad.
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Konrad Hinsen
Laboratoire Leon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: khinsen at cea.fr
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