AMBER Archive (2008)

Subject: Re: AMBER: concerning force fields

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Jun 26 2008 - 11:16:48 CDT

have you checked the tutorials? There is a nice one there on force field
development for non-standard residues. I think your question is a bit too
open to get much help by email- are you interested in small molecule
force fields, unusual amino acids, sugars, etc? How you proceed can
depend on what type of molecules you want to simulate.

On Thu, Jun 26, 2008 at 11:14 AM, Adrien Delmont
<adriendelmont_at_yahoo.com> wrote:
> Dear All,
>
>
>
> I'm using Amber 9 v. My goal is to create different force fields that Amber
> does not provide for my molecular structure. I want to ask you some
> questions about creating different force fields in Amber . What are the
> main steps and levels of creating a different force field? What must I do
> step by step ? Could you give me some information about this ? Please help
> me to understand the basics of this procedure.
>
> Many thanks in advance.
>
> Best regards,
>
> Adrien
>
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