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

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 9 Mar 2015 08:12:47 -0400

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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Received on Mon Mar 09 2015 - 05:30:02 PDT
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