AMBER Archive (2006)

Subject: Re: AMBER: Announcement: Amber 9 is now available

From: David A. Case (case_at_scripps.edu)
Date: Fri Mar 31 2006 - 11:29:54 CST

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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