AMBER Archive (2005)

Subject: Re: AMBER: how to creat leaprc.gaff

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Fri May 20 2005 - 04:48:14 CDT

Hi Vijay,

The leaprc.gaff is already defined in

$AMBERHOME/dat/leap/cmd

directory. What u should create is a file (called a modified force field
file) which has to look like the way it is described in

http://amber.scripps.edu/formats.html

Look at the "Force field parameter modification file specification" part
of this webpage. There are some examples in

$AMBERHOME/dat/leap/parm

directory, such as 'frcmod.ff03'. Hope this help.

Best,

On Fri, 20 May 2005, Vijay Manickam Achari wrote:

> to all amber users
>
> how to creat the file called
> leaprc.gaff ?
>
> I am using Amber7 for modeling Carbohydrate using
> Glycam04.
>
> Thank you
> Vijay
>
>
>
>
>
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-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       -				-
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