On Fri, Mar 31, 2006, David E. Konerding wrote:
>
>
> Have you guys given thought to using netcdf or HDF5 for prmtop files as
> well as trajectories? This would eliminate the need for custom
> parsers of the prmtop file format, and would produce much smaller prmtop
> files.
>
> We have no such plans...we'll have to see how the trajectory stuff works.
Just a follow-up comment: I think there would be considerable reluctance to
have a format that did not allow one to manually inspect and change things
using a text editor. Plus, there are platforms for which we can't get netCDF
to work, and I think there is no way we would make all of Amber dependent
upon someone else's code that none of us understands all that well.
...dac
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Received on Sun Apr 02 2006 - 06:10:16 PDT
