Dear Simmerling,
I want to say sorry because I completely forgot to mention my structure I study on. I¢m interested in n-alkanes and evaluatingthermophysical and structural properties of n- alkanes and binary mixtures of n-alkanes. What are the main steps and levels of creating a different force field? What must I do step by step ? In these conditions I ¡m waiting for your help and also all Amber user¢s help.
Many thanks in advance.
Best regards,
Adrien
----- Original Message ----
From: Carlos Simmerling <carlos.simmerling.gmail.com>
To: amber.scripps.edu
Sent: Thursday, June 26, 2008 7:16:48 PM
Subject: Re: AMBER: concerning force fields
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.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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Received on Sun Jun 29 2008 - 06:07:31 PDT
