On Sun, Sep 03, 2017, Bartberger, Michael wrote:
>
> My group is a licensee of Amber14 (the most current version we've
> licensed) into which AmberTools 12 has been integrated (and updated
> via the "update_amber --upgrade" mechanism, last checked just
> yesterday. The update appears to have been successful.
You should certainly install AmberTools17 into its own
directory tree (headed by ...amber16), and point your AMBERHOME variable
there. (The only program not in AmberTools is pmemd, and you can continue
to use the pmemd from Amber14: it doesn't need or use AMBERHOME).
Note also that amberlite is entirely within AmberTools, so you may get lucky
if you replace AmberTools12 with AmberTools17. I'm not sure if the --upgrade
option works all the way back to AmberTools12; certainly you still seem
to be referring to the 2012 version of the Reference Manual, and things may
have been fixed in the five years since then.
If you got to the last step of the example, see if you can figure out from
the documentation what the next steps should be. (I appreciate that this
is not an answer to your question; but I don't have current access to
AmberTools12, and I suspect others on the list are in the same situation.
...good luck....dac
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Received on Sun Sep 03 2017 - 18:30:08 PDT
