Re: [AMBER-Developers] force-field naming (redux)

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Mon, 9 Mar 2015 08:18:40 -0400

I think a default suggestion is ok, so most users will just use it without
having to go read something (since I doubt they will). I do think it should
be more clearly named to indicate which protein/DNA/RNA/glycam/ion params
are included in it though...

On Mon, Mar 9, 2015 at 8:12 AM, Jason Swails <jason.swails.gmail.com> wrote:

> On Sun, Mar 8, 2015 at 9:53 PM, B. Lachele Foley <lfoley.ccrc.uga.edu>
> wrote:
>
> > How about this, or similar:
> >
> > * Update the tutorials to say "Please see the XYZ section of the AMBER
> > manual for the most current force fields. For the purpose of this
> > tutorial, we will use..."
> >
> > * Then, in the AMBER manual, have a set of written-out-in-the-manual,
> > suggested leaprc sets to source for various purposes. Then, the person
> has
> > to copy those into a file (so they have to be aware of what they're
> > doing). But, they also have some suggested recipes to make it easy for
> new
> > folks.
> >
>
> ‚ÄčThis is basically what we have now, as I see it.‚Äč See the beginning of
> Chapter 3.
>
> All the best,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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> AMBER-Developers.ambermd.org
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>
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Received on Mon Mar 09 2015 - 05:30:03 PDT
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