AMBER Archive (2007)

Subject: Re: AMBER: force fields

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Mon Feb 05 2007 - 06:49:29 CST

You ahould start by reading all of the articles for the current Amber
force fields
in great detail. Then you can decide what to do differently.
Decades of work have been put into the current ones, so you should not
consider this unless you are really sure that you can do better. If that
is the
case, then likely you don't need any help since that is a project only
for experts.

If you just want to make a new force field for a specific molecule, then
you will need to give us more details.

deepti nayar wrote:

> hi
>
> i am new to amber9. can any one plz guide me how to make a force
> field? i dont want to use inbuilt force fields of amber and so want to
> build a new one for my molecule myself.
>
> thanx
> deepti
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu