Re: [AMBER-Developers] Ions parameters in ff12SB

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 26 Feb 2014 14:15:15 -0500

On Wed, Feb 26, 2014 at 1:53 PM, Gustavo Seabra <gustavo.seabra.gmail.com>wrote:

> Hi Pawel,
>
> Was this change made recently? (I am trying to do a git pull here, but the
> system is incredibly slow, and I'll only be abel totes it later).
>

Yes, Pawel found this and fixed it this morning (EST) -- I think it was
pushed in the afternoon...

I was apparently wrong in that this was 'expected behavior' (I only recall
the discussions and the commits that changed the ion names to the PDB
standard -- I missed the commit where Dave introduced backwards
compatibility).

I would still say that the 'new' names are recommended, though (if only to
play nice with the PDB).

All the best,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Feb 26 2014 - 11:30:02 PST
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