[gmx-developers] Reading charmm dcd files

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Sun Nov 4 14:50:45 CET 2007

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?


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.


> 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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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.

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