> >
> > Beyond that, both mdcrd and mdvel have less precision than restrt,
> > so even if you had both and combined them to produce a restrt, it
> > wouldn't be as good as a normal restrt, and some equilibration
> > could be desireable.
> >
>
> Actually if they use NetCDF (which everybody should be, and the only option
> for combining mdvel/mdcrd), then they have more precision than a restart
> (full single precision, unformatted), so this would be unnecessary.
Why not use NetCDF for restrt?
Bill
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Received on Fri Oct 14 2011 - 21:30:02 PDT
