AMBER Archive (2008)

Subject: Re: AMBER: Using antechamber without AMBER program

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Mon Feb 04 2008 - 15:32:11 CST

Hi,

On Mon, 4 Feb 2008, Surasak Chunsrivirot wrote:

> I'm completely new to AMBER and our lab doesn't have AMBER program yet. I want
> to use AMBER force fields to do simulation of small molecules, using CHARMM or
> NAMD software.

Ohhh my, why ? :)

> I want to use antechamber to generate force fields for small
> molecules such as drugs, solvents, excipients and wondering if I can just use
> antechamber program to do that.

Yes.

> Do I need to buy AMBER software if I want to
> just generate force fields for small molecules? Your suggestions would be
> greatly appreciated.

No. For example, Amber score in DOCK uses antechamber:
http://dock.compbio.ucsf.edu/DOCK_6/index.htm
So does Chimera:
http://www.cgl.ucsf.edu/chimera/

Scott

> If I need to buy AMBER, I'll try to convince my adviser to buy one.
>
> Thank you very much for your help.
>
> Sincerely,
> Surasak (a PhD student)
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