Thank you; this is a very useful link indeed!
On 10/16/15 8:13 AM, Jason Swails wrote:
> 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
>>
>
>
--
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
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Received on Fri Oct 16 2015 - 05:30:08 PDT
