On Thu, Feb 22, 2018, Nikolay N. Kuzmich wrote:
>
> thank you for the advice, but this doesn't seem to work for AmberTools15.
> (Currentl I use Amber14 and AmberTools 15)
> P.S. Can AmberTools 17 be used together with Amber14?
Yes: install AmberTools17 in an directory tree headed by "amber16", and point
your AMBERHOME environment variable there. When you need to run pmemd,
explicitly use .../amber14/bin/pmemd as the executable name.
> I do have plans to acquire Amber18 which will be released in a couple of
> months (am I right?) so it hardly makes sense to buy Amber16 now.
There is nothing to buy: AmberTools17 has no license fee. And there is no
simple way to avoid using AmberTools17 to get the OHE residue to work
correctly.
[Finally, just an aside: people who purchase Amber16 now are eligible for
a free upgrade when Amber18 is released.]
...dac
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Received on Thu Feb 22 2018 - 10:00:03 PST
