[gmx-developers] Reading charmm dcd files

[Axel Kohlmeyer]

On 11/3/07, Ran Friedman, Biochemisches Inst. <r.friedman at bioc.uzh.ch> wrote:
> Dear Developers,
>
> I'm thinking about writing a dcd reader (and writer) for gromacs. I've been
> searching the mailing lists, but found mostly references to other programs.
> I wonder if anybody already has some experience with it?

ran,

the big question of course is: why?
is there a special application where you need .dcd format?

how about interfacing gromacs to the molfile library of VMD?
this way, you'd be able to read/write a large variety of MD file
formats (including .dcd). within several of the plugins you can also
find information on how the respective files are written.

cheers,
    axel.

>
> Thanks,
> Ran.
>
> ------------------------------------------------------
> Ran Friedman
> Postdoctoral Fellow
> Computational Structural Biology Group (A. Caflisch)
> Institute of Biochemistry
> University of Zurich
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> Tel. +41-44-6354493
> Skype: ran.friedman
> ------------------------------------------------------
>
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-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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