On Mon, Feb 13, 2017, Korey M Reid wrote:
>
> >From reading I found in old versions the discussion that the md
> >velocity files were written a half interval between coordinate
> >writeout. Is this still true? If so, can I force amber to write out the
> >coordinates and velocities at the same time corresponding to the same
> >time?
I think this is still true, and that we indeed don't offer a way to write
coordinates and velocities at the same time step. The velocities you want
are indeed computed internally, so some energetic developer might wish to add
such an option, which would indeed be worth having.
Caveat: I may be missing something here, and if so, I hope people on the list
will correct me.
....dac
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Received on Tue Feb 14 2017 - 06:30:02 PST
