Re: [AMBER-Developers] Some notes and questions from the recent developers' meeting

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 18 Feb 2015 17:04:07 -0500

On Wed, Feb 18, 2015 at 4:26 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi All,
>
> I also reiterate my idea that we make a full AMBER 15 - which is
> AmberTools 15 + Amber 15 - which essentially includes all the updates from
> the website and anything else we add in the next couple of weeks and make
> this a free upgrade for anyone with an AMBER 14 license. Or you call it
> AMBER 14.1 to avoid confusion on why we are suddenly giving away a major
> release version.


> The advantage of this is we get away from having both Amber 14 with
> AmberTools 14 and Amber 14 with Amber(Tools)15 in the same location etc
> etc. We can add an amber15 directory for example etc etc.
>

‚Äč-1 for me, personally. Not much has changed since the last time this
suggestion got tossed around. In fact, the separation of sander into
AmberTools weakens this idea, IMO (since we don't have to worry about
"incompatibilities" b/w Amber and AT creeping in to these mid-cycle
releases).

update_amber still tells you definitively what version of Amber *and*
AmberTools is installed, and the fast-developing programs (cpptraj, ParmEd,
and to a lesser degree sander) report their version numbers in their
output. I think the Amber12/AmberTools 12-13 cycle went pretty seamlessly,
and it should be even easier this time around without sander
incompatibilities to worry about.

All the best,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Feb 18 2015 - 14:30:02 PST
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