On Fri, Feb 26, 2016, Ross Walker wrote:
>
> We still have ioutfm=0 as default in git master for pmemd.
>
> Secondary question - could we also make ntxo=2 default at the same time?
> (not as critical now ntwr = nstlim by default).
I favor these changes...sounds like now is a time when we are considering
lots of changes in defaults, and these are good ones. And this would not
make old inputs fail...they would just have different output formats, which
seems OK to me.
Question is, though, should we not have defaults for pmemd and sander be the
same? I'd like to have as few differences between the two programs as
possible.
...dac
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Received on Fri Feb 26 2016 - 18:00:03 PST
