Re: [AMBER-Developers] reading binary restart files by sander - amber 11

From: Piotr Cieplak <>
Date: Wed, 6 Jul 2011 14:28:38 -0700

It is not a matter of writing simple program (everyone can do that), my
question was related to ntx=6 option, which does not work
(amber11 manual page 25). It could be needed when default iwrap=0
is used and Netcdf is not compiled/installed.


On Wed, 2011-07-06 at 13:15, David A Case wrote:
> On Wed, Jul 06, 2011, Jason Swails wrote:
> > Binary restart files were added by Dan Roe recently (after the amber11
> > release). Thus, only the development version *should* be able to read
> > binary restarts. I think your best bet is to have cpptraj translate it back
> > to a formatted restart in order to be used by sander/pmemd 11.
> I think Piotr may be(?) asking about (very) old-style binary restart
> files. It should be easy(!) to write a tiny program to convert such
> beasts into formatted versions. I don't myself know of any alternative.
> ...dac
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Received on Wed Jul 06 2011 - 15:00:05 PDT
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