On Fri, 17 Jun 2016 11:07:25 +0100
Marc van der Kamp <marcvanderkamp.gmail.com> wrote:
> Hello,
>
> Related to this:
> I understand that there is lots to do before a release, but it would
> be great if this kind of change (changing the default format of
> restrt files written by sander/pmemd) would be documented in a
> changelog. This is important as behaviour between sander from
> AmberTools16 (etc.) and previous versions has changed, when given the
> same input file.
I totally agree with Marc on this. Such problems also effect those
who develop tools "downstreams". I have had to sort out this new ntxo
setting as well. Another issue was the renaming (for no obvious
reason) of all the divalent frcmod files. The new force field setup
scheme was also not helping although, to be fair, it is still possible
to read those files the "old" way.
Sure, this is all documented somewhere in the manual. But the keyword
here is "somewhere". It would be desirable to find out about potential
disruptive changes at a single place, clearly marked as such, e.g. a
changelog as Marc suggests.
Thanks,
Hannes.
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Received on Fri Jun 17 2016 - 04:00:02 PDT
