On Sat, Oct 15, 2011 at 12:01 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> > >
> > > 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?
>
We will be shortly. The ability is in the development branches. It was
only recently implemented (all credit to Dan Roe there).
> Bill
>
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Oct 14 2011 - 22:00:02 PDT
