Dear David,
thank you very much for your help!
Sincerely,
Nick
Message: 11
Date: Thu, 22 Feb 2018 12:33:36 -0500
From: David A Case <david.case.rutgers.edu>
Subject: Re: [AMBER] The unperturbed charge of the unit is not
integral": really nothing to care about?
To: AMBER Mailing List <amber.ambermd.org>
Message-ID:
<20180222173336.brvyv4lu67lj5iyf.vpn-client-172-16-8-64.rutgers.edu>
Content-Type: text/plain; charset=us-ascii
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 Fri Feb 23 2018 - 10:00:02 PST
