Re: [AMBER] Documentation on Prepin File Format

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 16 Oct 2015 08:13:55 -0400

The file format is Amber PREP. "in" means the coordinates are specified as
internal (Z-matrix). prepc or prepcar are X-Y-Z cartesian coordinates.

The Amber prep file format *should* be defined with a lot of the other file
formats (http://ambermd.org/formats.html) toward the bottom.

HTH,
Jason

On Fri, Oct 16, 2015 at 8:00 AM, Robert Molt <rwmolt07.gmail.com> wrote:

> Good morning,
>
> Is there documentation on the file format for prepin files? I cannot
> find it in the Amber manual. I tried searching for "prepin" (no
> results); looking under prepgen gives me the command function, but not
> the file format. I *think* I need to edit my .prepin file.
>
> --
> Dr. Robert Molt Jr.
> r.molt.chemical.physics.gmail.com
> Visiting Associate Professor of Chemistry
> Department of Chemistry & Chemical Biology
> Indiana University-Purdue University Indianapolis
> LD 326
> 402 N. Blackford St.
> Indianapolis, IN 46202
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Oct 16 2015 - 05:30:06 PDT
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