Re: [AMBER] Forcefield

From: Christina Bergonzo <cbergonzo.gmail.com>
Date: Wed, 21 Nov 2012 13:34:23 -0700

Hello,

You can find file format information here:

http://ambermd.org/formats.html

This is linked to on the main Amber page, both in the sidebar and in the
last bullet point under General Information.

Hope this helps,
-Christina


On Wed, Nov 21, 2012 at 1:06 PM, Maxier Acosta Santiago <
maxier.acosta.upr.edu> wrote:

> Greetings:
>
> After creating the frcmod file to use leap, there are come atoms that need
> revision. I know that I have to do this manually but I am not sure about
> what information it is specifically stated here. I can only interpret that:
>
> The BOND sec con the information is the a type of frequency and the bond
> length.
> The ANGLE section an interval of the possible angles
> The DIHE section I am honestly not sure.
>
> Anyone can help?
>
> Maxier Acosta Santiago
> Undergraduate Student
> Department of Chemistry
> University of Puerto Rico,
> Rio Piedras Campus
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
----------------------------------------------------------
Christina Bergonzo, PhD
Postdoctoral Fellow
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Office: Biopolymers Room 295
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
----------------------------------------------------------
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 21 2012 - 13:00:02 PST
Custom Search