[gmx-developers] Reading charmm dcd files

Ran Friedman, Biochemisches Inst. r.friedman at bioc.uzh.ch
Sun Nov 4 15:21:44 CET 2007

Dear Axel,

No special application - I just hoped to save the conversion so that the gmx 
analysis tools could work on a dcd file directly. Since I'm not the first 
one who wants to use GMX on dcd files, I thought somebody might have started 
to deal with it.

I'll surely check the molfile lib.

> 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.

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